2-Nonynoic acid, (3Z)-3-hexenyl ester
Basic information
- CAS
68480-29-5- Standard SMILES
CC/C=C/CCOC(=O)C#CCCCCCC- InChIKey
PDPNRGJWKDIKKR-SOFGYWHQSA-N- Molecular formula
- C15H24O2
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.17763
Overview
See also: 2-Nonynoic acid, 3-hexenyl ester, (Z)- (annotation moved to).
Names & identifiers
- Preferred name
- 2-Nonynoic acid, (3Z)-3-hexenyl ester
- IUPAC
- [(E)-hex-3-enyl] non-2-ynoate
- English name
- 2-Nonynoic acid cis-3-hexen-1-yl ester
- Molecular formula
- C15H24O2
- Molecular weight
- 236.35
Names & synonyms
2-Nonynoic acid, (3Z)-3-hexenyl esterRefChem:47726668480-29-52-Nonynoic acid, (3Z)-3-hexen-1-yl estercis-3-Hexenyl octine carbonate(Z)-Hex-3-enyl non-2-ynoateEINECS 270-907-6D91744cis-3-Hexenyl 2-nonynoateNonynoicacidcishexenylesterCIS-3-HEXEN-1-YL 2-NONYNOATE(Z)-hex-3-en-1-yl non-2-ynoate
Show more names
3-hexenylester,(z)-2-nonynoicaci(Z)-3-hexen-1-yl octine carbonate2-Nonynoic acid (Z)-3-hexenyl ester2-Nonynoic acid cis-3-hexen-1-yl ester
Database identifiers
- CAS
68480-29-5- PubChem CID
- 6437545
- EC Number
- 270-907-6
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Density
- 0.9 · 0.90
- refractive index
- 1.462 · 1.4620-1.4650
- Flash point
- 110 °C · 110 °C
- Odor
- green
- LogP
- 5.938 · 5.938 (est)
- EPA Substance Registry System
- 2 · 2-Nonynoic acid, (3Z)-3-hexenyl ester (68480-29-5)
- 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.
Hazard information
Regulatory Information2-Nonynoic acid, (3Z)-3-hexenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Nonynoic acid, (3Z)-3-hexen-1-yl ester: ACTIVE
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Related reactions
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Compound notes
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