Methyl 4-octenoate, (Z)-
Basic information
- CAS
21063-71-8- Standard SMILES
CCC/C=C\CCC(=O)OC- InChIKey
SSPBQLGVUAXSMH-WAYWQWQTSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Methyl 4-octenoate, (Z)-
- IUPAC
- methyl (Z)-oct-4-enoate
- English name
- methyl (Z)-oct-4-enoate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
21063-71-8Methyl cis-4-octenoate4-Octenoic acid, methyl ester, (Z)-Methyl 4-octenoate, (Z)-4-Octenoic acid, methyl ester, (4Z)-cis-4-Octenoic acid, methyl esterMethyl (Z)-4-octenoateFEMA No. 3367A9OC5106PKEINECS 244-188-4DTXSID20885159METHYL CIS-4-OCTENOATE [FHFI]
Show more names
METHYLCIS-4-OCTENOATE(Z)-4-Octenoic acid methyl ester
RefChem:816559DTXCID701024557Methyl (Z)-oct-4-enoateUNII-A9OC5106PK(Z)-Methyl 4-octenoateMethyl (4Z)-4-octenoateMETHYL (4Z)-OCT-4-ENOATESCHEMBL18339165
Database identifiers
- CAS
21063-71-8- PubChem CID
- 5352774
- DTXSID
DTXSID20885159- UNII
- A9OC5106PK
- EC Number
- 244-188-4
- Nikkaji
- J146.077C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.862-0.867
Flavoring AgentsEU Flavoring substances
Solubility
soluble in ether
(in ethanol)
Boiling Point72 °C (11 mm Hg)
Refractive Index1.431-1.438
Physicochemical properties
- Boiling point
- 173.9 · 173.9±9.0 °C(Predicted)
- Density
- 0.896 · 0.896±0.06 g/cm3(Predicted)
- FLAVIS Number
- 9.268 · 09.268 | Methyl oct-4(cis)-enoate
- FEMA
- 3367 · 3367 | METHYL CIS-4-OCTENOATE
- Odor
- 100 % · at 100.00 %. fresh pineapple
- Odor Type
- fruity
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 Information
Chemical: 4-Octenoic acid, methyl ester, (Z)-
4-Octenoic acid, methyl ester, (4Z)-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information4-Octenoic acid, methyl ester, (4Z)-: ACTIVE
Applications
DescriptionMay be prepared from cis-4-octenoic acid ethyl ester and methanol in the presence of sodium catalyst.
OccurrenceReported found in pineapple, starfruit and pawpaw.
Preparation methods
PreparationFrom cis-4-octenoic acid ethyl ester and methanol in the presence of sodium catalyst.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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