Basic information
- CAS
1460-16-8- Standard SMILES
O=C(O)C1CCCCCC1- InChIKey
VZFUCHSFHOYXIS-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Overview
Cycloheptanecarboxylic acid is a carboxylic acid.
Names & identifiers
- Preferred name
- Cycloheptanecarboxylic acid
- IUPAC
- cycloheptanecarboxylic acid
- English name
- Cycloheptanecarboxylic acid
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
CYCLOHEPTANECARBOXYLIC ACID1460-16-8Cycloheptanoic acidEINECS 215-954-5VZFUCHSFHOYXIS-UHFFFAOYSA-DTXSID10163256NSC 18964RefChem:129506DTXCID0085747215-954-5InChI=1/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)VZFUCHSFHOYXIS-UHFFFAOYSA-N
Show more names
CYCLOHEPTANOICACIDTIMTEC-BB SBB008467RARECHEM AL BO 1251CarboxycycloheptaneCYCLOHEPTAN CARBOXYLIC ACIDCycloheptane-1-carboxylic acid
Cycloheptane carboxylic acidMFCD00004152Cyclohepatan carboxylic acid865KG6BK6Qcycloheptylcarboxylic acidSCHEMBL66635Cycloheptanecarboxylic acid, 98%NSC-18964
Database identifiers
- CAS
1460-16-8- PubChem CID
- 15091
- DTXSID
DTXSID10163256- ChEBI
CHEBI:29564- UNII
- 865KG6BK6Q
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 97.5 · 97.5-98.0 °C
- Boiling point
- 135 · 135-138 °C9 mm Hg(lit.)
- Density
- 1.035 g/mL · 1.035 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4704(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- pka
- 4.82 · 4.82±0.20(Predicted)
- color
- Clear colorless
- InChI
- 1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)
- InChIKey
- VZFUCHSFHOYXIS-UHFFFAOYSA-N
- SMILES
- OC(=O)C1CCCCCC1
- CAS DataBase Reference
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (50%): 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 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29162090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesCycloheptanoic acid is an organic carboxylic acid used in organic synthesis and pharmaceutical intermediates.
Upstream & downstream products
Downstream products
Suppliers100 total
上海康恩博医药科技有限公司17510465506 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
24 records
Compound notes
Loading…