4-(Trifluoromethyl)cyclohexan-1-ol

HCID 2779765

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Basic information

CAS: 30129-18-1
Standard SMILES: OC1CCC(C(F)(F)F)CC1
InChIKey: VJUJYNJEPPWWHS-UHFFFAOYSA-N
Molecular formula: C7H11F3O
Average molar mass: 168.16 g/mol
Monoisotopic mass: 168.07619963

Names & identifiers

Preferred name: 4-(Trifluoromethyl)cyclohexan-1-ol
IUPAC: 4-(trifluoromethyl)cyclohexan-1-ol
English name: cis-4-(Trifluoromethyl)cyclohexanol
Molecular formula: C7H11F3O
Molecular weight: 168.16

Names & synonyms

30129-18-14-(trifluoromethyl)cyclohexan-1-olDTXSID30952548RefChem:517149DTXCID001380633671-735-84-(trifluoromethyl)cyclohexanolTRANS-4-(TRIFLUOROMETHYL)CYCLOHEXANOL75091-93-975091-92-8CIS-4-(TRIFLUOROMETHYL)CYCLOHEXANOLMFCD00102144

Show more names

cis-4-(Trifluoromethyl)cyclohexan-1-olCyclohexanol, 4-(trifluoroMethyl)-, cis-

MFCD12964322C7H11F3O4-(Trifluoromethyl)cyclohexanol, cis/trans(1S,4S)-4-(TRIFLUOROMETHYL)CYCLOHEXAN-1-OL4-TrifluoromethylcyclohexanolSCHEMBL602272AKOS005256067(1s,4s)-4-(Trifluoromethyl)cyclohexanol

Database identifiers

CAS: 30129-18-1、75091-92-8
PubChem CID: 2779765
DTXSID: DTXSID30952548
EC Number: 671-735-8、885-277-3

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 124

Physicochemical properties

Boiling point: 160.4 · 160.4±35.0 °C(Predicted)
Density: 1.231 · 1.231±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 14.88 · 14.88±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H335
Precautionary statements: 210 · P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (80%): 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 25 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (80%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H227-H315-H319-H335
Precautionary statements: P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501