Basic information
- CAS
106484-02-0- Standard SMILES
CC(=O)OCCC(C)OC(C)=O- InChIKey
MPAGVACEWQNVQO-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- 1,3-Butanediol diacetate
- IUPAC
- 3-acetyloxybutyl acetate
- English name
- 1,3-Butanediol diacetate
- Molecular formula
- C8H14O4
- Molecular weight
- 174.19
Names & synonyms
1,3-Butanediol diacetate1117-31-31,3-Butylene diacetate1,3-Butylene glycol diacetate1,3-Butanediol, diacetate1,3-Butanediol, 1,3-diacetateNSC 67338J110.690BDTXSID00862549BUTANE-1,3-DIOL DIACETATEEINECS 214-244-2NSC-67338
Show more names
Butane-1,3-diyl diacetate1,3-Diacetoxybutane1,3-Butandiol diacetate1,3-Di(acetyloxy)butane3-(Acetyloxy)butyl acetate4-acetyloxybutan-2-yl acetate
5847L0XU44AI3-111581,3-BGDA1,3-BUTANEDIYL DIACETATEEC 214-244-2RefChem:414125DTXCID60811295(+-)-1,3-DIACETOXYBUTANE
Database identifiers
- CAS
106484-02-0、1117-31-3- PubChem CID
- 79140
- DTXSID
DTXSID00862549- UNII
- 5847L0XU44
- EC Number
- 214-244-2
- Nikkaji
- J110.690B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1,3-Butanediol, 1,3-diacetate) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 97 · 97-99°C 8mm
- Density
- 1 · 1,028 g/cm3
- vapor pressure
- 16.61 Pa · 16.61Pa at 20℃
- refractive index
- 1.418 · 1.4180
- Flash point
- 85 °C · 85°C
- storage temp.
- 2 · 2-8°C
- BRN
- 1771411 · 1771411
- LogP
- 1.31 · 1.31
- CAS DataBase Reference
- 1117 · 1117-31-3(CAS DataBase Reference)
- FDA UNII
- 5847 L0XU44 · 5847L0XU44
- EPA Substance Registry System
- 1 · 1,3-Butanediol, diacetate (1117-31-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,3-Butanediol, diacetate
REACH registered substance: 1,3-butylene diacetate (EC: 214-244-2)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335-H402
- REACH Registrations
- Active
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information1,3-Butanediol, 1,3-diacetate: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers31 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
普善实业（陕西）有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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