Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 215-549-3 | CAS number: 1330-80-9
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
The skin sensitization potential of 2-hydroxypropyl octadec-9-enoate (1330-80-9) was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances. 2-hydroxypropyl octadec-9-enoate (1330-80-9) was predicted to be non sensitizing to the skin of guinea pig.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Prediction is done using OECD QSAR Toolbox version 3.4 and the supporting QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 406 (Skin Sensitisation)
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.4
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Justification for non-LLNA method:
- Not specified .
- Specific details on test material used for the study:
- - Name of the test material: 9-Octadecenoic acid, monoester with 1,2-propanediol
- IUPAC name: 2-hydroxypropyl octadec-9-enoate
- Molecular formula: C21H40O3
- Molecular weight: 340.544 g/mol
- Subsatnce type: Organic
- SMiles: C(CC(OC[C@@H](C)O)=O)CCCCC\C=C\CCCCCCCC - Species:
- guinea pig
- Strain:
- not specified
- Sex:
- not specified
- Route:
- other: No data available.
- Route:
- other: No data available.
- No. of animals per dose:
- No data available.
- Details on study design:
- No data available.
- Positive control substance(s):
- not specified
- Statistics:
- No data available.
- Reading:
- 1st reading
- Group:
- test chemical
- No. with + reactions:
- 0
- Clinical observations:
- No skin sensitization reaction observed.
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- other: not sensitising
- Conclusions:
- The skin sensitization potential of 2-hydroxypropyl octadec-9-enoate (1330-80-9) was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances. 2-hydroxypropyl octadec-9-enoate (1330-80-9) was predicted to be non sensitizing to the skin of guinea pig.
- Executive summary:
The skin sensitization potential of 2-hydroxypropyl octadec-9-enoate (1330-80-9) was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances. 2-hydroxypropyl octadec-9-enoate (1330-80-9) was predicted to be non sensitizing to the skin of guinea pig.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes mode value from the 7 nearest neighbours
Domain logical expression:Result: Out of Domain
((((((((((((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and "h" )
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and (
not "v")
)
)
and ("w"
and (
not "x")
)
)
and ("y"
and (
not "z")
)
)
and ("aa"
and "ab" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Esters (Chronic toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alcohol AND Alkene AND Allyl AND
Carboxylic acid ester by Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alcohol AND Allyl AND Carboxylic
acid ester AND Overlapping groups by Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Carbonyl,
aliphatic attach [-C(=O)-] AND Ester, aliphatic attach [-C(=O)O] AND
Hydroxy, aliphatic attach [-OH] AND Miscellaneous sulfide (=S) or oxide
(=O) AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US
EPA)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Alcohol AND Carbonic acid
derivative AND Carboxylic acid derivative AND Carboxylic acid ester AND
Hydroxy compound AND Secondary alcohol by Organic functional groups,
Norbert Haider (checkmol)
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Alkyl phenols OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes OR
Michael addition >> Polarised Alkenes-Michael addition OR Michael
addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated esters OR Schiff base formers OR Schiff base formers >>
Direct Acting Schiff Base Formers OR Schiff base formers >> Direct
Acting Schiff Base Formers >> Mono aldehydes OR SN1 OR SN1 >> Iminium
Ion Formation OR SN1 >> Iminium Ion Formation >> Aliphatic tertiary
amines OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion
formation >> Tertiary aromatic amine by DNA binding by OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Not bioavailable by Lipinski
Rule Oasis ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Halogens by Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 16
- Oxygen O by Chemical elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Group 15 - Nitrogen N by
Chemical elements
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Oxyphenistain (Hepatotoxicity)
Alert by Repeated dose (HESS)
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Not classified by Oncologic
Primary Classification
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Acrylate Reactive Functional
Groups OR Aldehyde Type Compounds OR Phenol Type Compounds by Oncologic
Primary Classification
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by Keratinocyte gene expression
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as High gene expression OR High
gene expression >> Activated esters by Keratinocyte gene expression
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as No alert found by DNA alerts for
AMES by OASIS v.1.4
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Shiff base
formation after aldehyde release OR AN2 >> Shiff base formation after
aldehyde release >> Specific Acetate Esters OR SN1 OR SN1 >>
Nucleophilic attack after carbenium ion formation OR SN1 >> Nucleophilic
attack after carbenium ion formation >> Specific Acetate Esters OR SN2
OR SN2 >> Acylation OR SN2 >> Acylation >> Specific Acetate Esters OR
SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom >> Specific Acetate Esters
by DNA alerts for AMES by OASIS v.1.4
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Not known precedent reproductive
and developmental toxic potential by DART scheme v.1.0
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Known precedent reproductive and
developmental toxic potential OR Toluene and small alkyl toluene
derivatives (8a) by DART scheme v.1.0
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as No alert found by
Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Structural alert for
nongenotoxic carcinogenicity OR Substituted n-alkylcarboxylic acids
(Nongenotox) by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Esters by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Acid moiety OR Not Related to an
Existing ECOSAR Class OR Surfactants-Nonionic by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "aa"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 5.13
Domain
logical expression index: "ab"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 7.17
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization
In different studies,2-hydroxypropyl octadec-9-enoate (1330-80-9) has been investigated for its potential for dermal sensitization to a greater or lesser extent. The prediction and studies are based on in vivo experiments in guinea pig and human for target chemical 2-hydroxypropyl octadec-9-enoate (1330-80-9) and its structurally similar read across substances2,3-dihydroxypropyl octadec-9-enoate (111-03-5) and Isopropyl Myristate (110-27-0) .The predicted data using the OECD QSAR toolbox and DANISH QSAR have also been compared with the experimental data.
The skin sensitization potential of 2-hydroxypropyl octadec-9-enoate (1330-80-9) was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances. 2-hydroxypropyl octadec-9-enoate (1330-80-9) was predicted to be non sensitizing to the skin of guinea pig.
Another Prediction done by Danish QSAR (2017), to evaluate the skin sensitization potential of 2-hydroxypropyl octadec-9-enoate (1330-80-9).Using Battery algorithm model of Danish QSAR, Allergic Contact Dermatitis for 2-hydroxypropyl octadec-9-enoate (1330-80-9) estimated to be not sensitizing when applied to human and guinea pig skin.
Further supported by experimental data conducted by Cosmetic Ingredient Review Expert Panel (JOURNAL OF THE AMERICAN COLLEGE OF TOXICOLOGY, 1986) on structurally similar read across substance 2,3-dihydroxypropyl octadec-9-enoate (111-03-5) on human by RIPT method.Skin sensitization for2,3-dihydroxypropyl octadec-9-enoate (111-03-5) was observed in human by repeated insult patch test. An RIPT with a sunscreen formulation containing 5% test material was conducted using an occlusive patch technique. Ten 24-h induction patches on Tuesdays, Thursdays, and Saturdays were applied. The sites were evaluated after removal of each patch. After a rest period of 12-l 6-day. A 24-h challenge patch at an adjacent site was applied. These challenge sites were then evaluated immediately after patch removal and 24 h later. None of the 15 subjects was observed with skin sensitization effect during the induction phase or when challenged. Therefore 2,3-dihydroxypropyl octadec-9-enoate (111-03-5) was considered to be non sensitizing in human.
It is further supported by Further supported by experimental data conducted by Cosmetic Ingredients Review Expert Panel (JOURNAL OF THE AMERICAN COLLEGE OF TOXICOLOGY,1982) on structurally similar read across substance Isopropyl Myristate (110-27-0) on human by maximization test.Skin sensitization study for Isopropyl Myristate (110-27-0) was observed in human by maximization test.A maximization test was conducted on on 25 human volunteers using 20% concentration of Isopropyl Myristate in petrolatum. After pretreatment with sodium lauryl sulfate, the skin on the volar surface of one forearm was subjected to five sequential patches, each for 48 h with 24 h between in induction phase. While in challenge exposure ,a patch with sodium lauryl sulfate pretreatment was made after a 10 day rest period . No sensitization reactions were observed in any 25 human. Therefore Isopropyl Myristate (110-27-0) was considered to be non sensitizing in human.
Thus based on the above predictions on 2-hydroxypropyl octadec-9-enoate (1330-80-9) as well as its read across substances and applying weight of evidence, it can be concluded that 2-hydroxypropyl octadec-9-enoate is not a skin sensitizer. Thus comparing the above annotations with the criteria of CLP regulation, 2-hydroxypropyl octadec-9-enoate (1330-80-9) can be considered as ‘not classified ‘for skin sensitization effects.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Thus comparing the above annotations with the criteria of CLP regulation, 2-hydroxypropyl octadec-9-enoate (1330-80-9) can be considered as ‘not classified ‘for skin sensitization effects.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.