Basic information
- CAS
18719-24-9- Standard SMILES
C=CCCCCCC(=O)O- InChIKey
OZYYQTRHHXLTKX-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 7-Octenoic acid
- IUPAC
- oct-7-enoic acid
- English name
- 7-OCTENOIC ACID
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
7-Octenoic acidoct-7-enoic acid18719-24-9UMY8YV4JPRDTXSID30337674RefChem:106493DTXCID60288761686-909-9MFCD02258724oct-7-enoicacidUNII-UMY8YV4JPR7-Octenoic acid, 97%
Show more names
7-octyleneacidoct-7-enoicaciOCTENOIC ACID (7-)7-Octenoic acid 97%
SCHEMBL4815397-Octenoic acid; C8:1n-1orb3023313SCHEMBL3176467SCHEMBL7780721CHEBI:180307C8:1n-1LMFA01030576
Database identifiers
- CAS
18719-24-9- PubChem CID
- 543977
- DTXSID
DTXSID30337674- ChEBI
CHEBI:180307- UNII
- UMY8YV4JPR
- EC Number
- 686-909-9
- Nikkaji
- J98.027G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 1.7 °C · 1.7°C (estimate)
- Boiling point
- 256.29 °C · 256.29°C (estimate)
- Density
- 0.925 g/mL · 0.925 g/mL at 25 °C
- refractive index
- 20 · n20/D1.442
- Flash point
- 110 ℃ · >110℃
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 4.77 · 4.77±0.10(Predicted)
- form
- liquid
- Appearance
- Colorless to light yellow Liquid
- PH
- 4 · 4
- InChI
- 1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2H,1,3-7H2,(H,9,10)
- InChIKey
- OZYYQTRHHXLTKX-UHFFFAOYSA-N
- SMILES
- OC(=O)CCCCCC=C
- FDA UNII
- 8 YV4JPR · UMY8YV4JPR
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
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
- wgk
- 3
- ridadr
- UN 3265 8 / PGIII
- hs_code
- 2916199590
- risk_code
- 22-34-41-50
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- C,N
- safety_code
- 26-36/37/39-45-61
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H302-H314-H400
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Skin Corr. 1B
- Precautionary statements
- P270-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers71 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
13 records
Compound notes
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