CAS 10601-39-5 4-tert-Butylcyclohexylmethanol (HCID 82759)

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Basic information

CAS: 10601-39-5
Standard SMILES: CC(C)(C)C1CCC(CO)CC1
InChIKey: GGWBQKOXLMPNMS-UHFFFAOYSA-N
Molecular formula: C11H22O
Average molar mass: 170.29 g/mol
Monoisotopic mass: 170.16706532

Names & identifiers

Preferred name: 4-tert-Butylcyclohexylmethanol
IUPAC: (4-tert-butylcyclohexyl)methanol
English name: trans-4-tert-butylcyclohexylmethanol
Molecular formula: C11H22O
Molecular weight: 170.29

Names & synonyms

20691-53-64-tert-ButylcyclohexylmethanolEINECS 243-976-5RefChem:526877243-976-5(4-tert-butylcyclohexyl)methanol10601-39-513004-06-3(4-(tert-butyl)cyclohexyl)methanoltrans-4-tert-Butylcyclohexylmethanol(Cis-4-(tert-butyl)cyclohexyl)methanolcis-4-tert-Butylcyclohexylmethanol

Show more names

4β-tert-Butyl-1α-cyclohexanemethanol4-tert-butylcyclohexylmethanol cis-4-tert-butylcyclohexylmethanol

Cyclohexanemethanol, 4-(1,1-dimethylethyl)-trans-4-(tert-Butyl)cyclohexyl)methanol((1s,4s)-4-(tert-Butyl)cyclohexyl)methanolCyclohexanemethanol, 4-(1,1-dimethylethyl)-, trans-EINECS 234-221-0EINECS 235-843-5p-t-butylbenzyl alcohol4-(1,1-Dimethylethyl)cyclohexanemethanol

Database identifiers

CAS: 10601-39-5、13004-06-3、20691-53-6
PubChem CID: 82759
DTXSID: DTXSID30909870
EC Number: 234-221-0、235-843-5、243-976-5
Nikkaji: J225.306B、J227.023D、J317.763G

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 126

Physicochemical properties

Boiling point: 227.478 · 227.478±8.00 °C(Press: 760.00 Torr)(predicted)
Density: 0.89 · 0.890±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 15.049 · 15.049±0.10(predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.