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EC number: 214-244-2 | CAS number: 1117-31-3
- 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
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- 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
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- Nanomaterial pour density
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- 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
Based on read-across from Ethylene diacetate (CAS 111-55-7) and Propane-1,2-diyl diacetate (CAS 623-84-7):
Oral: LD50 = 6860 mg/kg bw
Inhalation: LC0 = 0.845 mg/L
Dermal: LD50 > 2000 mg/kg bw
Key value for chemical safety assessment
Acute toxicity: via oral route
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Quality of whole database:
- The available information comprises an adequate and reliable (Klimisch score 2) study from a reference substance with similar structure and intrinsic properties. Read-across is justified based on common functional group(s) as the source and target substances are both esters of similar di-functional alcohols with the carboxylic acid acetic acid (refer to endpoint discussion for further details). The selected study is thus sufficient to fulfil the standard information requirements set out in Annex VII, 8.5, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006.
Acute toxicity: via inhalation route
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Quality of whole database:
- The available information comprises an adequate and reliable (Klimisch score 2) study from a reference substance with similar structure and intrinsic properties. Read-across is justified based on common functional group(s) as the source and target substances are both esters of similar di-functional alcohols with the carboxylic acid acetic acid (refer to endpoint discussion for further details). The selected study is thus sufficient to fulfil the standard information requirements set out in Annex VII, 8.5, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006.
Acute toxicity: via dermal route
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Quality of whole database:
- The available information comprises an adequate and reliable (Klimisch score 2) study from a reference substance with similar structure and intrinsic properties. Read-across is justified based on common functional group(s) as the source and target substances are both esters of similar di-functional alcohols with the carboxylic acid acetic acid (refer to endpoint discussion for further details). The selected study is thus sufficient to fulfil the standard information requirements set out in Annex VII, 8.5, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006.
Additional information
Justification for grouping of substances and read-across
There are no data available on the acute toxicity of 1,3-Butylene diacetate (CAS 1117-31-3). In order to fulfil the standard information requirements set out in Annex VIII, 8.5, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006, read-across from structurally related substances is conducted.
In accordance with Article 13 (1) of Regulation (EC) No 1907/2006, "information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI are met.” In particular for human toxicity, information shall be generated whenever possible by means other than vertebrate animal tests, which includes the use of information from structurally related substances (grouping or read-across).
Having regard to the general rules for grouping of substances and read-across approach laid down in Annex XI, Item 1.5, of Regulation (EC) No 1907/2006, whereby physicochemical, toxicological and ecotoxicological properties may be predicted from data for reference substance(s) by interpolation to other substances on the basis of structural similarity, Ethylene diacetate (CAS 111-55-7) and Propane-1,2-diyl diacetate (CAS 623-84-7) are selected as reference substances for assessment of acute toxicity.
The read-across is based on the structural similarity between the source and target substances which are all esters of similar di-functional alcohols with the carboxylic acid acetic acid. A detailed analogue approach justification is provided in the technical dossier (see IUCLID Section 13).
Overview of Acute toxicity
CAS# |
1117-31-3 (a) |
111-55-7 (b) |
623-84-7 |
Chemical name |
1,3-Butylene diacetate |
Ethylene diacetate |
Propane-1,2-diyl diacetate |
Molecular weight (g/mol) |
174.20 |
146.14 |
160.17 |
Acute toxicity, oral |
RA CAS 111-55-7 |
Experimental result: LD50 = 6860 mg/kg bw |
-- |
Acute toxicity, inhalation |
RA CAS 623-84-7 |
-- |
Experimental result: LC0 = 0.845 mg/L |
Acute toxicity, dermal |
RA CAS 623-84-7 |
-- |
Experimental result: LD50 > 2000 mg/kg bw |
(a) The substance subject to the REACh Phase-in registration deadline of 31 May 2013 is indicated in bold font. Only for this substance a full set of experimental results and/or read-across is given.
(b) Reference (read-across) substances are indicated in normal font. Lack of data for a given endpoint is indicated by “--“.
Acute oral toxicity
CAS 111-55-7
One acute oral toxicity study with Ethylene diacetate in rats is available (Smyth, 1941). Ethylene diacetate as 50% dispersion in water was administered to 10 male animals as single oral dose by stomach tube. The observation period following administration was 14 days. The data were calculated by the method of probits. The precision is indicated by the range of 95% probability.
The resulting LD 50 value of the study in male rats was evaluated to be 6860 mg/kg bw.
Acute inhalation toxicity
CAS 623-84-7
The acute inhalation toxicity of Propane-1,2-diyl diacetate was evaluated in a study equivalent to OECD guideline 403 (Dow, 1986). A group of 6 male Fischer 344 rats were exposed whole body to the highest attainable concentration of 129 ppm for 6 h. The animals were observed for a period of 14 days following administration. No mortality occurred and no clinical signs of toxicity were apparent and necropsy revealed no substance-related findings.
Therefore, the LC0 for male rats was the highest attainable vapour concentration of 129 ppm, corresponding to 0.845 mg/L.
Acute dermal toxicity
CAS 623-84-7
The acute dermal toxicity of Propane-1,2-diyl diacetate was evaluated in a study according to OECD guideline 402 under GLP conditions (Dow, 1986). A group of 10 New Zealand White rabbits (5 males and 5 females) were treated with the undiluted test substance at the limit dose of 2000 mg/kg bw under semiocclusive conditions for 24 h.
The animals were observed for a period of 14 days following administration. During the study period, no mortality and no clinical signs of toxicity occurred in any animal. Furthermore, no effects on body weight and no substance-related findings during necropsy were observed. Therefore, the LD50 value for males and females was greater than 2000 mg/kg bw.
Conclusion for acute toxicity
In summary, an acute oral toxicity study with the structurally related substance Ethylene diacetate (CAS 111-55-7) resulted in an oral LD50 value of 6860 mg/kg bw.
For acute inhalation toxicity, a study with Propane-1,2-diyl diacetate (CAS 623-84-7) is available. From the study, a LC0 value of 129 ppm (0.845 mg/L), the highest attainable vapour concentration, was obtained.
An acute dermal toxicity study conducted with Propane-1,2-diyl diacetate (CAS 623-84-7) resulted in a dermal LD50 value > 2000 mg/kg bw.
Thus, the available data indicate a very low level of acute toxicity for the target and source substances and thus no hazard for acute oral, inhalative and dermal toxicity was identified.
Justification for selection of acute toxicity – oral endpoint
Hazard assessment is conducted by means of read-across from a structural analogue. The selected study is the most adequate and reliable study based on the identified similarities in structure and intrinsic properties between source and target substance and overall quality assessment (refer to the endpoint discussion for further details).
Justification for selection of acute toxicity – inhalation endpoint
Hazard assessment is conducted by means of read-across from a structural analogue. The selected study is the most adequate and reliable study based on the identified similarities in structure and intrinsic properties between source and target substance and overall quality assessment (refer to the endpoint discussion for further details).
Justification for selection of acute toxicity – dermal endpoint
Hazard assessment is conducted by means of read-across from a structural analogue. The selected study is the most adequate and reliable study based on the identified similarities in structure and intrinsic properties between source and target substance and overall quality assessment (refer to the endpoint discussion for further details).
Justification for classification or non-classification
Based on read-across from analogue substances following an analogue approach, the available data on acute, dermal and inhalation toxicity of 1,3-Butylene diacetate (CAS 1117-31-3) do not meet the criteria for classification according to Regulation (EC) 1272/2008 or Directive 67/548/EEC, and the data are therefore conclusive but not sufficient for classification.
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