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Diss Factsheets
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EC number: 252-478-7 | CAS number: 35274-05-6
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Result based on an internationally accepted QSAR tool.
- Justification for type of information:
- 1. SOFTWARE: ECOSAR Program (v1.10)
2. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: O=C(OCCCCCCCCCCCCCCCC)C(O)C
3. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: LC50
----------------------------------------------------------------------------------------------------
Class Specific LogKow Cut-Offs
----------------------------------------------------------------------------------------------------
If the log Kow of the chemical is greater than the endpoint specific cut-offs
presented below, then no effects at saturation are expected for those endpoints.
Esters:
----------------------------------------------------------------------------------------------------
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50)
Maximum LogKow: 6.0 (Fish 14-day LC50; Earthworm LC50)
Maximum LogKow: 6.4 (Green Algae EC50)
Maximum LogKow: 8.0 (ChV)
Baseline Toxicity SAR Limitations:
----------------------------------------------------------------------------------------------------
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50)
Maximum LogKow: 6.4 (Green Algae EC50)
Maximum LogKow: 8.0 (ChV)
----------------------------------------------------------------------------------------------------
4. ADEQUACY OF THE RESULT
- Data can be used to determine the classification category and M-factor. - Principles of method if other than guideline:
- ECOSAR (Ecological Structure Activity Relationships) predicts the potential toxicity of industrial chemicals to organisms living in the water body to which the chemicals are discharged.
- GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES : O=C(OCCCCCCCCCCCCCCCC)C(O)C
- Test organisms (species):
- Daphnia magna
- Total exposure duration:
- 48
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 0.096 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Remarks:
- Hexadecyl lactate
- Basis for effect:
- mortality
- Remarks on result:
- other: ECOSAR Class Esters
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 0.02 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Remarks:
- Hexadecyl lactate
- Basis for effect:
- mortality
- Remarks on result:
- other: Neutral Organic SAR (Baseline Toxicity)
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 0.008 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- other: ECOSAR Class Esters
- Details on results:
- ECOSAR v1.1 Class-specific Estimations
Esters Predicted
Invertebrates:
- Fresh water: 96h-LC50 = 0.096 mg/L; ChV = 0.017 mg/L
- Sea water: 96h-LC50 = 0.008 mg/L; ChV = 0.00004 mg/L
Neutral Organic SAR Predicted (Baseline Toxicity)
Invertebrates:
- Fresh water: 96h-LC50 = 0.020 mg/L; ChV = 0.004 mg/L - Validity criteria fulfilled:
- not applicable
Reference
ECOSAR Program (v1.10) Results:
===============================
ECOSAR Version 1.10 Results Page
SMILES : O=C(OCCCCCCCCCCCCCCCC)C(O)C
CAS# :
CAS Num:
ChemID1:
MOL FOR: C19 H38 O3
MOL WT : 314.51
Log Kow: 6.692 (EPISuite Kowwin v1.68 Estimate)
Melt Pt: 41.00 (deg C, PhysProp DB exp value for Wat Sol est)
Wat Sol: 0.1135 (mg/L, EPISuite WSKowwin v1.43 Estimate)
--------------------------------------
Values used to Generate ECOSAR Profile
--------------------------------------
Log Kow: 6.692 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 0.1135 (mg/L, EPISuite WSKowwin v1.43 Estimate)
------------------------------------------------
Available Measured Data from ECOSAR Training Set
------------------------------------------------
No Data Available
--------------------------------------
ECOSAR v1.1 Class-specific Estimations
--------------------------------------
Esters
Predicted
ECOSAR Class Organism Duration End Pt mg/L (ppm)
=========================== ================== ======== ====== ==========
Esters : Daphnid 48-hr LC50 0.096
Esters : Daphnid ChV 0.017
Esters : Mysid 96-hr LC50 0.008
=========================== ================== ======== ====== ==========
Neutral Organic SAR
(Baseline Toxicity) : Daphnid 48-hr LC50 0.020
: Daphnid ChV 0.004
Note: * = asterisk designates: Chemical may not be soluble enough to
measure this predicted effect. If the effect level exceeds the
water solubility by 10X, typically no effects at saturation (NES)
are reported.
Description of key information
Estimation of the endpoint value for acute toxicity to invertebrates was based on the GLP studies with the analogues C12 alkyl lactate (dodecyl lactate) and C12-15 alkyl lactates, supported by EC50 values estimated by ECOSAR v. 1.1 (QSAR). Dodecyl lactate and C12-15 alkyl lactates were separately tested in a semi-static 48-h test with Daphnia magna as test organism. For dodecyl lactate, the 48h-EC50 was 0.10 mg/l with a 95% confidence interval of 0.085 to 0.12 mg/L. The EC50 of C12-15 alkyl lactates was below its solubility limit, i.e. 0.1 mg/L (TWA: 0.064 mg/L). Based on ECOSAR v1.1, the fresh water LC50 for hexadecyl lactate = 0.096 mg/L, and sea water LC50 = 0.008 mg/L. These values were based on the Ester class, while baseline Toxicity for fresh water invertebrates (LC50) = 0.020 mg/L.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 0.096 mg/L
Marine water invertebrates
Marine water invertebrates
- Effect concentration:
- 0.008 mg/L
Additional information
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.
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