Basic information
- CAS
31642-67-8- Standard SMILES
C=CCCCCCCC(=O)O- InChIKey
AWQOXJOAQMCOED-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Overview
8-nonylenic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 8-Nonenoic Acid
- IUPAC
- non-8-enoic acid
- English name
- 8-Nonenoic acid
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
8-NONENOIC ACID31642-67-80QA4Y5MV0ODTXSID60185529RefChem:548318DTXCID50108020686-918-8non-8-enoic acid8-nonylenic acidMFCD02258721UNII-0QA4Y5MV0Onon-8-enoicacid
Show more names
non-8-enoicaci8-nonene-1-acidNONENOIC ACID (8-)8-Nonenoic acid 97%
C9:1n-18-Nonenoic acid, 97%SCHEMBL882999LMFA01030028AKOS006281828AS-56688N0752I11998
Database identifiers
- CAS
31642-67-8- PubChem CID
- 35860
- DTXSID
DTXSID60185529- ChEBI
CHEBI:186905- UNII
- 0QA4Y5MV0O
- EC Number
- 686-918-8
- Nikkaji
- J98.041B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physicochemical properties
- Melting point
- 2.5 °C · 2.5°C
- Boiling point
- 274.02 °C · 274.02°C (estimate)
- Density
- 0.908 g/mL · 0.908 g/mL at 25 °C
- refractive index
- 20 · n20/D1.444
- Flash point
- 110 ℃ · >110℃
- pka
- 4.78 · 4.78±0.10(Predicted)
- form
- liquid
- InChI
- InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h2H,1,3-8H2,(H,10,11)
- InChIKey
- AWQOXJOAQMCOED-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCCCCC=C
- FDA UNII
- 0 QA4Y5MV0O · 0QA4Y5MV0O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses8-Nonenoic Acid is a reagent used in the synthesis of 4-N-Alkyl Gemcitabine (G305000) analogs, which act as antineoplastics.
Upstream & downstream products
Downstream products
Suppliers61 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Related reactions
1 records
Compound notes
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