3-Formylbut-2-enyl acetate

HCID 84699
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Basic information

CAS
14918-80-0
Standard SMILES
CC(=O)OCC=C(C)C=O
InChIKey
LPDDKAJRWGPGSI-UHFFFAOYSA-N
Molecular formula
C7H10O3
Average molar mass
142.15 g/mol
Monoisotopic mass
142.06299418

Names & identifiers

Preferred name
3-Formylbut-2-enyl acetate
IUPAC
(3-methyl-4-oxobut-2-enyl) acetate
English name
3-formylbut-2-enyl acetate
Molecular formula
C7H10O3
Molecular weight
142.15

Names & synonyms

3-Formylbut-2-enyl acetate14918-80-03-formylcrotyl acetate(3-methyl-4-oxobut-2-enyl) acetate3-METHYL-4-OXOBUT-2-EN-1-YL ACETATE4-acetoxy-2-methyl-2-butenalEINECS 238-989-83-formyl-crotyl acetateVitamin A Impurity 742-methyl-4-acetoxy butenal2-methyl-4-acetoxy-2-butenalSCHEMBL3137233
Show more names
3-methyl-4-oxobut-2-enyl acetate4-Acetyloxy-2-methyl-2-butenal2-Butenal, 4-(acetyloxy)-2-methyl-Acetic acid 3-formyl-2-butenyl esterVitamin A Impurity 69 (Mixture of E/Z-isomers)
DTXSID409335653-methyl-4-oxo-2-butenyl acetate4-acetoxy-2-methyl-2-buten-1-alNS00085944

Database identifiers

CAS
14918-80-0
PubChem CID
84699
DTXSID
DTXSID40933565
EC Number
238-989-8

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
10

Physicochemical properties

Melting point
50 · 50-55 °C
Boiling point
95 · 95-97 °C(Press: 15 Torr)
Density
1.027 · 1.027±0.06 g/cm3(Predicted)
InChI
InChI=1S/C7H10O3/c1-6(5-8)3-4-10-7(2)9/h3,5H,4H2,1-2H3
InChIKey
LPDDKAJRWGPGSI-UHFFFAOYSA-N
SMILES
C(=O)C(C)=CCOC(C)=O

Chemistry & industry

Applications

Uses3-Formylcrotyl Acetate can be used as a vitamin A intermediate.

Upstream & downstream products

Suppliers32 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
杭州鼎欣生物科技有限公司0571-88194596 15558156576 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]

Related reactions

17 records
New reaction record

Compound notes

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