Basic information
- CAS
1114-92-7- Standard SMILES
CC(=O)OC(C)C(C)OC(C)=O- InChIKey
VVSAAKSQXNXBML-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- Butane-2,3-diyl diacetate
- IUPAC
- 3-acetyloxybutan-2-yl acetate
- English name
- butane-2,3-diyl diacetate
- Molecular formula
- C8H14O4
- Molecular weight
- 174.19
Names & synonyms
Butane-2,3-diyl diacetate1114-92-7EINECS 214-219-6AI3-10549DTXSID709121462,3-Butanediol, diacetate (mostly meso)RefChem:570771DTXCID101341173214-219-63-acetyloxybutan-2-yl acetate2,3-diacetoxybutane2,3-butanediol diacetate
Show more names
2,3-Butandiyldiacetate3-acetyloxybutan-2-ylacetate3,4-diMethylhexanedioic acid2,3-BUTANEDIOL, 2,3-DIACETATE
2-(Acetyloxy)-1-methylpropyl acetateButane-2,3-diyldiacetatebutane-2,3-diol diacetate2,3-Butanedioldiacetate2,3-Butanediyl diacetate2,3-butane diol diacetate2,3-Butanediol, diacetateButane-2,3-diol, diacetate
Database identifiers
- CAS
1114-92-7- PubChem CID
- 66193
- DTXSID
DTXSID70912146- ChEBI
CHEBI:230539- EC Number
- 214-219-6
- Nikkaji
- J203.334H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
Kovats Retention Index
1065.4；1064；1080；1079.8；1077.8
1495；1532；1487；1483；1521；1525；1484；1501
Physicochemical properties
- Melting point
- 25.7 · 25.7-25.9 °C
- Boiling point
- 82 °C · 82 °C(Press: 10 Torr)
- Density
- 1.0244 g/cm3 · 1.0244 g/cm3(Temp: 25 °C)
- storage temp.
- 2 · 2-8°C
- LogP
- 0.928 · 0.928 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers19 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Alfa Chemistry
Related reactions
5 records
Compound notes
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