Basic information
- CAS
76649-17-7- Standard SMILES
CCC=CCCOC(=O)C(C)=CCC- InChIKey
RTISFZCHFHFOOK-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Overview
See also: 2-Pentenoic acid, 2-methyl-, (3Z)-3-hexenyl ester (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Hex-3-enyl 2-methylpent-2-enoate
- IUPAC
- hex-3-enyl 2-methylpent-2-enoate
- English name
- cis-3-Hexenyl 2-methyl-2-pentenoate
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
76649-17-7hex-3-enyl 2-methylpent-2-enoate(Z)-3-hexen-1-yl 2-methyl-2-pentenoatecis-3-Hexenyl 2-methyl-2-pentenoate(Z)-3-Hexenyl 2-methyl-2-pentenoatecis-3-hexen-1yl 2-methylpent-2-en-1-oate2-Methyl-2-pentenoic acid (Z)-3-hexenyl ester2-Pentenoicacid2-methyl-,(3Z)-3-hexenylester]2-Pentenoic acid,2-methyl-, (3Z)-3-hexen-1-yl ester
Database identifiers
- CAS
76649-17-7- PubChem CID
- 173530
- EC Number
- 278-511-5
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 263.1 · 263.1±19.0 °C(Predicted)
- Density
- 0.904 · 0.904±0.06 g/cm3(Predicted)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fresh green natural metallic tropical waxy
- Odor Type
- fruity
- LogP
- 4.222 · 4.222 (est)
- EPA Substance Registry System
- 2 · 2-Pentenoic acid, 2-methyl-, (3Z)-3-hexenyl ester (76649-17-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pentenoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester: ACTIVE
Suppliers3 total
上海问彩新材料科技有限公司15721586846 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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