2-Butene-1,4-diol diacetate

HCID 140402

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Basic information

CAS: 18621-75-5
Standard SMILES: CC(=O)OCC=CCOC(C)=O
InChIKey: VZUAUHWZIKOMFC-UHFFFAOYSA-N
Molecular formula: C8H12O4
Average molar mass: 172.18 g/mol
Monoisotopic mass: 172.07355886

Names & identifiers

Preferred name: 2-Butene-1,4-diol diacetate
IUPAC: 4-acetyloxybut-2-enyl acetate
English name: 2-Butene-1,4-dioldiacetate
Molecular formula: C8H12O4
Molecular weight: 172.18

Names & synonyms

25260-60-0MFCD000779684-acetyloxybut-2-enyl acetate1,4-diacetoxy-2 -butene4-acetoxybut-2-enyl acetateSCHEMBL74779DTXSID7013145961,4-Diacetoxybutene2-Butenylene acetate2-Butenylene diacetateButene-1,4-diol diacetateBut-2-ene-1,4-diyl diacetate

Show more names

2-Butene-1,4-diol 1,4-diacetate2-butene-1,4-dioldiacetate / 1,4-diacetoxy-2-butene

Database identifiers

CAS: 18621-75-5
PubChem CID: 140402
DTXSID: DTXSID701314596

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Physicochemical properties

Boiling point: 231 ℃ · 231℃
Density: 1.068 · 1.068
refractive index: 1.4435 · 1.4435
Flash point: 108 ℃ · 108℃
storage temp.: 2 · 2-8°C
Appearance: Colorless to light yellow Liquid
EPA Substance Registry System: 2 · 2-Butene-1,4-diol diacetate (18621-75-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338