cis-1,4-Diacetoxy-2-butene

C₈H₁₂O₄CAS 25260-60-0172.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₂O₄
Molar mass: 172.18 g/mol
Exact mass: 172.0736 Da
Boiling point: 120–121 °C (at 18 Torr)
logP: 0.67Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation95.1% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

25260-60-0

SMILES

CC(=O)OC/C=CCOC(C)=O

InChIKey

VZUAUHWZIKOMFC-ARJAWSKDSA-N

InChI

InChI=1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

2-Butene-1,4-diol, 1,4-diacetate, (2Z)-
2-Butene-1,4-diol, diacetate, (Z)-
2-Butene-1,4-diol, diacetate, (2Z)-
cis-2-Butene-1,4-diol diacetate
(Z)-1,4-Diacetoxybut-2-ene
(Z)-4-(Acetyloxy)-2-butenyl acetate
(Z)-2-Butene-1,4-diyl diacetate
(Z)-1,4-Bis(acetoxy)but-2-ene
(Z)-But-2-en-1,4-diyl diacetate
(2Z)-But-2-ene-1,4-diyl diacetate

Work with cis-1,4-Diacetoxy-2-butene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

trans-2-Hexenyl acetate2497-18-972 % similar 2,4-Hexadienyl acetate1516-17-268 % similar Prenyl acetate1191-16-863 % similar Allyl acetate591-87-763 % similar Glycol diacetate111-55-757 % similar Cinnamyl acetate103-54-857 % similar 1,3-Diacetoxyacetone6946-10-757 % similar 1-(Acetyloxy)-2-propanone592-20-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Cyclohexanedicarboxylic acid1076-97-7 Ethyl 2,4-dioxohexanoate13246-52-1 Diethyl maleate141-05-9 1,2-Cyclohexanedicarboxylic acid1687-30-5 cis-1,3-Cyclohexanedicarboxylic acid2305-31-9 (±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-0 (3aR,4S,5R,6aS)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one32233-40-2 Diethyl methylidenemalonate3377-20-6

Elsewhere

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