4-Methylenecyclohexylmethanol
Basic information
- CAS
1004-24-6- Standard SMILES
C=C1CCC(CO)CC1- InChIKey
VEDQBZWFMDUFHU-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- 4-Methylenecyclohexylmethanol
- IUPAC
- (4-methylidenecyclohexyl)methanol
- English name
- 4-Methylenecyclohexylmethanol
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
1004-24-64-MethylenecyclohexylmethanolCyclohexanemethanol, 4-methylene-4-METHYLENECYCLOHEXANEMETHANOLUNII-41ZEO89RKY41ZEO89RKY1-Hydroxymethly-4-methylenecyclohexaneDTXSID20143246RefChem:99877DTXCID4065737VEDQBZWFMDUFHU-UHFFFAOYSA-N(4-methylenecyclohexyl)methanol
Show more names
(4-Methylidenecyclohexyl)methanol - [M72333]
(4-methylidenecyclohexyl)methanolMFCD000455644-methylene-1-cyclohexanemethanol4-methylene-cyclohexanemethanolSCHEMBL3019153Cyclohexanemethanol, 4-methylene(4-methylene-cyclohexyl)-methanol(4-methylenecyclohexyl)methan-1-ol
Database identifiers
- CAS
1004-24-6- PubChem CID
- 13860
- DTXSID
DTXSID20143246- UNII
- 41ZEO89RKY
- EC Number
- 854-172-4
- Nikkaji
- J100.576F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Boiling point
- 128 · 128-130 °C(Press: 57 Torr)
- Density
- 0.93 · 0.93±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.96 · 14.96±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 41 ZEO89RKY · 41ZEO89RKY
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
9 records
Compound notes
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