Basic information
- CAS
1577-19-1- Standard SMILES
CCCCC=CCC(=O)O- InChIKey
IWPOSDLLFZKGOW-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 3-Octenoic acid
- IUPAC
- oct-3-enoic acid
- English name
- 3-Octenoic acid
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
DTXSID006179952M4D39OOYRefChem:855405DTXCID7035068FEMA NO. 43622-HEPTENE-1-CARBOXYLIC ACID216-418-31577-19-13-Octenoic acidoct-3-enoic acidoct-3-enoicacidMFCD00016562
Show more names
Octenoicacid3-OctenoicAcid>3-OCTENOIC ACID 95+%TRANS-3-OCTENOIC ACID3-OCTENOIC ACID TECH 85%3-Octenoic acid, tech. 85%
SCHEMBL586011IWPOSDLLFZKGOW-UHFFFAOYSA-N
Database identifiers
- CAS
1577-19-1- PubChem CID
- 15307
- DTXSID
DTXSID0061799- EC Number
- 216-418-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
Density0.928-0.938 (20 °C)
Solubility
Slightly soluble in water; soluble in most organic solvents
Soluble (in ethanol)
Boiling Point240-242 °C
Refractive Index1.443-1.450
Physical DescriptionWhite solid; Oily, fatty aroma
Physicochemical properties
- Melting point
- 1.7 °C · 1.7°C (estimate)
- Boiling point
- 237 · 237-240°C
- Density
- 0.9565 · 0.9565 (rough estimate)
- FEMA
- 4362 · 4362 | 3-OCTENOIC ACID
- refractive index
- 1.442 · 1.4420-1.4470
- Flash point
- 110 °C · >110 °C
- storage temp.
- Inert atmosphere,Room Temperature
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (46.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information3-Octenoic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1C (100%)；Eye Dam. 1 (46.8%)
Regulatory information
Regulatory Information3-Octenoic acid: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- ridadr
- 3265
- hs_code
- 2916.19.3000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3-Octenoic acid: ACTIVE
Applications
Uses3-Octenoic acid is a fatty acid used as a synthetic building block, and is naturally found bioactive component in some plant extracts, such as Bryonopsis laciniosa fruit extract.
Suppliers26 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
2 records
Compound notes
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