o-Cyclohexylphenol

HCID 8396CAS 119-42-6

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1ccccc1C1CCCCC1
InChIKey: MVRPPTGLVPEMPI-UHFFFAOYSA-N
Molecular formula: C12H16O
Average molar mass: 176.25 g/mol
Monoisotopic mass: 176.12011513

Names & identifiers

Preferred name: o-Cyclohexylphenol
IUPAC: 2-cyclohexylphenol
English name: 2-Cyclohexylphenol
Molecular formula: C12H16O
Molecular weight: 176.25

Names & synonyms

2-CYCLOHEXYLPHENOL119-42-6o-CyclohexylphenolPhenol, 2-cyclohexyl-Phenol, o-cyclohexyl-KIR1PB30LIPhenol, cyclohexyl-NSC 6093NSC-6093EINECS 204-322-4AI3-09047DTXSID2059487

Show more names

2-cyclohexyl-pheno2-Cyclohexylphenol >2-HYDROXYPHENYLCYCLOHEXANE

EINECS 247-813-9oCyclohexylphenolPhenol, ocyclohexylPhenol, 2cyclohexylRefChem:855235Phenol, ocyclohexyl (8CI)Phenol, o-cyclohexyl-(8CI)DTXCID0033465

Database identifiers

CAS: 119-42-6、26570-85-4
PubChem CID: 8396
DTXSID: DTXSID2059487
ChEMBL: CHEMBL1812771
UNII: KIR1PB30LI
EC Number: 204-322-4、247-813-9
Nikkaji: J95.548E

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 149

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Phenols

SpringerMaterials PropertiesDielectric constant

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 56 °C · 56°C
Boiling point: 284 °C · 284 °C
Density: 0.9452 · 0.9452 (rough estimate)
refractive index: 1.5415 · 1.5415 (estimate)
Flash point: 134 ℃ · 134℃
form: powder to crystal
pka: 10.41 · 10.41±0.30(Predicted)
color: White to Light yellow to Light orange
Water Solubility: 83.33 mg/L · 83.33mg/L(25 ºC)
InChI: InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
InChIKey: MVRPPTGLVPEMPI-UHFFFAOYSA-N
SMILES: C1(O)=CC=CC=C1C1CCCCC1
CAS DataBase Reference: 119 · 119-42-6(CAS DataBase Reference)
FDA UNII: 1 PB30LI · KIR1PB30LI
EPA Substance Registry System: 2 · Phenol, 2-cyclohexyl- (119-42-6)
Symbol(GHS): 5 · GHS05,GHS09
Signal word: Danger
Hazard statements: 410 · H410-H314
Precautionary statements: 273 · P273-P391-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 3077 · 3077
TSCA: TSCA listed
HS Code: 29071990 · 29071990
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 117 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Phenol, 2-cyclohexyl-

Status: Active Update: 19-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21008

Phenol, 2-cyclohexyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn irritant that may cause serious eye injury; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (66.7%)

Safety data

tsca: TSCA listed
ridadr: 3077
hs_code: 29071990
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS09
safety_code: 26-36/37/39
Hazard statements: H410-H314
REACH Registrations: Active
Precautionary statements: P273-P391-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501