Basic information
- CAS
17502-32-8- Standard SMILES
O=C(O)C1CCCCC1O- InChIKey
SNKAANHOVFZAMR-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Overview
2-hydroxycyclohexanecarboxylic acid is a hydroxy monocarboxylic acid. It is functionally related to a cyclohexanecarboxylic acid.
Names & identifiers
- Preferred name
- 2-Hydroxycyclohexanecarboxylic acid
- IUPAC
- 2-hydroxycyclohexane-1-carboxylic acid
- English name
- 2-HYDROXYCYCLOHEXANECARBOXYLIC ACID
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
2-hydroxycyclohexanecarboxylic acid609-69-8CHEBI:37377RefChem:875112-hydroxycyclohexane-1-carboxylic acidCyclohexanecarboxylic acid, 2-hydroxy-MFCD026844372-HYDROXYCYCLOHEXANECARBOXYLICACIDSCHEMBL890691DTXSID10901231NSC115776CS-W006852
Show more names
2-HydroxycyclohexanecarboxylicAcid(cis-andtrans-mixture)>2-Hydroxycyclohexanecarboxylic Acid (cis- and trans- Mixture)2-Hydroxycyclohexanecarboxylic Acid (cis- and trans- mixture)
NSC-11577617502-32-8GS-442328131-61-5Q27117125Z1080722428HexahydrosalicylsaureA868846
Database identifiers
- CAS
17502-32-8、28131-61-5、609-69-8- PubChem CID
- 271816
- DTXSID
DTXSID10901231- ChEBI
CHEBI:37377- EC Number
- 636-425-9
- Nikkaji
- J94.866G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 67 to · 67.0 to 71.0 °C
- Boiling point
- 307.9 · 307.9±35.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 4.95 · 4.95±0.28(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 609 · 609-69-8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 2918199890 · 2918199890
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
Danger
H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (95.1%)
Safety data
- hs_code
- 2918199890
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers4 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
南京今冉生物新材料科技有限公司+86-025-58218501; 19941513806
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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