Basic information
- CAS
5962-88-9- Standard SMILES
O=C(O)CCCCC1CCCCC1- InChIKey
YMUHUYBRWUUAJF-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- Cyclohexanepentanoic acid
- IUPAC
- 5-cyclohexylpentanoic acid
- English name
- Cyclohexanepentanoic acid
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
Cyclohexanepentanoic acid5962-88-9AI3-14245DTXSID50208296NSC 2038RefChem:129593DTXCID70130787628-291-55-cyclohexylpentanoic acid5-Cyclohexylvaleric acidCyclohexanevaleric acidMFCD00074942
Show more names
Cyclohexanepentanoic acid,5-Cyclohexylvaleric acid
Cyclohexane-valeric acidcyclohexylvaleric acidNCIOpen2_009318Cyclohexanepentanoic acid 98%SCHEMBL439641Cyclohexanepentanoic acid, 98%SCHEMBL27915885NSC2038
Database identifiers
- CAS
5962-88-9- PubChem CID
- 94769
- DTXSID
DTXSID50208296- EC Number
- 628-291-5
- Nikkaji
- J842.113G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 16 · 16-17 °C(lit.)
- Boiling point
- 126 · 126-127 °C0.5 mm Hg(lit.)
- Density
- 0.96 g/mL · 0.96 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4656(lit.)
- Flash point
- 230 °F · >230 °F
- form
- liquid
- InChI
- 1S/C11H20O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13)
- InChIKey
- YMUHUYBRWUUAJF-UHFFFAOYSA-N
- SMILES
- OC(=O)CCCCC1CCCCC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesCyclohexanepentanoic acid (5-Cyclohexylvaleric acid) was used as a growth medium for Pseudomonas oleovorans for production of polymers containing cyclohexyl units.
Suppliers19 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
Related reactions
14 records
Compound notes
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