8-(2-Hexylcyclopropyl)octanoic acid
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Basic information
- CAS
5618-00-8- Standard SMILES
CCCCCCC1CC1CCCCCCCC(=O)O- InChIKey
MUZYOAHCGSIXJH-UHFFFAOYSA-N- Molecular formula
- C17H32O2
- Average molar mass
- 268.441 g/mol
- Monoisotopic mass
- 268.24023026
Names & identifiers
- Preferred name
- 8-(2-Hexylcyclopropyl)octanoic acid
- IUPAC
- 8-(2-Hexylcyclopropyl)octanoic acid
- English name
- 9,10-methylenehexadecanoic acid
- Molecular formula
- C17H32O2
- Molecular weight
- 268.43
Names & synonyms
17:0 cyclo acid9,10-methylenehexadecanoic acidCyclopropaneoctanoic acid, 2-hexyl-
Database identifiers
- CAS
5618-00-8- PubChem CID
- 160786
- DTXSID
DTXSID20971561- Nikkaji
- J503.372A
Properties
Physicochemical properties
- Boiling point
- 379.3 · 379.3±10.0 °C(Predicted)
- Density
- 0.931 · 0.931±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 4.78 · 4.78±0.10(Predicted)
- form
- liquid
- InChI
- 1S/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)
- InChIKey
- MUZYOAHCGSIXJH-UHFFFAOYSA-N
- SMILES
- OC(CCCCCCCC1C(C1)CCCCCC)=O
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H331-H336-H351-H361d-H372
- Precautionary statements
- 201 · P201-P260-P264-P280-P304+P340+P311-P403+P233
- target organs
- Central nervous system
- WGK Germany
- 3 · WGK 3
- Hazard Classifications
- 3 InhalationAcute · Acute Tox. 3 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Repr. 2Skin Irrit. 2STOT RE 1STOT SE 3
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
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- target organs
- Central nervous system
- Hazard statements
- H302-H315-H319-H331-H336-H351-H361d-H372
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Repr. 2Skin Irrit. 2STOT RE 1STOT SE 3
- Precautionary statements
- P201-P260-P264-P280-P304+P340+P311-P403+P233
Chemistry & industry
Applications
Uses17:0 cyclo acid has been used as a cyclopropane fatty acid constituent in the preparation of E. coli polar lipid extract.
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Compound notes
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