2-(1-(Hydroxymethyl)cyclohexyl)ethan-1-ol
Basic information
- CAS
3187-28-8- Standard SMILES
OCCC1(CO)CCCCC1- InChIKey
INUWAALKYXUUGF-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 2-(1-(Hydroxymethyl)cyclohexyl)ethan-1-ol
- IUPAC
- 2-[1-(hydroxymethyl)cyclohexyl]ethanol
- English name
- Cyclohexaneethanol, 1-(hydroxymethyl)-
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24
Names & synonyms
2-[1-(hydroxymethyl)cyclohexyl]ethan-1-ol3187-28-82-(1-(Hydroxymethyl)cyclohexyl)ethan-1-olRefChem:450760822-825-22-[1-(Hydroxymethyl)cyclohexyl]ethanolSCHEMBL1129493INUWAALKYXUUGF-UHFFFAOYSA-NDAA18728Cyclohexan-1-ethanol, 1-hydroxymethyl-2-[1-(Hydroxymethyl)cyclohexyl]ethanol #EN300-1717586
Show more names
Cyclohexaneethanol, 1-(hydroxymethyl)-
Database identifiers
- CAS
3187-28-8- PubChem CID
- 549157
- EC Number
- 822-825-2
- Nikkaji
- J292.998H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 271.8 · 271.8±8.0 °C(Predicted)
- Density
- 0.998 · 0.998±0.06 g/cm3(Predicted)
- pka
- 15.05 · 15.05±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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