Methyl 2-hydroxycyclohexanecarboxylate
Basic information
- CAS
2236-11-5- Standard SMILES
COC(=O)C1CCCCC1O- InChIKey
IAJQZEQYGUQTQS-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.0942943
Names & identifiers
- Preferred name
- Methyl 2-hydroxycyclohexanecarboxylate
- IUPAC
- methyl 2-hydroxycyclohexane-1-carboxylate
- English name
- methyl 2-hydroxycyclohexanecarboxylate
- Molecular formula
- C8H14O3
- Molecular weight
- 158.2
Names & synonyms
Methyl 2-hydroxycyclohexanecarboxylate2236-11-5EINECS 218-797-0NSC 66571RefChem:157347218-797-0methyl 2-hydroxycyclohexane-1-carboxylateMethyl2-hydroxycyclohexanecarboxylate20027-13-8Cyclohexanecarboxylic acid, 2-hydroxy-, methyl esterMFCD000014592-CARBOMETHOXYCYCLOHEXANOL
Show more names
2-Hydroxycyclohexanecarboxylic acid methyl ester
SCHEMBL262051SCHEMBL262052METHYL HEXAHYDROSALICYLATESCHEMBL17200164NSC66571NSC-66571AKOS006282590SB84170
Database identifiers
- CAS
2236-11-5- PubChem CID
- 97999
- DTXSID
DTXSID10942023- EC Number
- 218-797-0
- Nikkaji
- J100.921D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 103 · 103-113 °C(Press: 5-8.5 Torr)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- pka
- 14.62 · 14.62±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H318-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H335-H318-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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