CAS 2206-38-4 Benzene, (cyclohexyloxy)- (HCID 137492)

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Basic information

CAS: 2206-38-4
Standard SMILES: c1ccc(OC2CCCCC2)cc1
InChIKey: OSAOIDIGMBDXED-UHFFFAOYSA-N
Molecular formula: C12H16O
Average molar mass: 176.25 g/mol
Monoisotopic mass: 176.12011513

Names & identifiers

Preferred name: Benzene, (cyclohexyloxy)-
IUPAC: cyclohexyloxybenzene
English name: Cyclohexylphenyl ether
Molecular formula: C12H16O
Molecular weight: 176.25

Names & synonyms

2206-38-4(cyclohexyloxy)benzeneBenzene, (cyclohexyloxy)-DTXSID10176548RefChem:562134DTXCID4099039624-889-5CyclohexyloxybenzeneCyclohexyl phenyl etherCYCLOHEXYLPHENYL ETHERPhenyl cyclohexyl etherphenoxycyclohexane

Show more names

AKOS 198cyclohexylbenzenetherCyclohexyl phenyl ether,95%Cyclohexyl phenyl ether 95%

Ether, cyclohexyl phenylCyclohexylphenyletherMFCD00144026cyclohexoxybenzenecyclohexyloxy-benzeneSCHEMBL22141SCHEMBL22392SCHEMBL233125

Database identifiers

CAS: 2206-38-4
PubChem CID: 137492
DTXSID: DTXSID10176548
EC Number: 624-889-5
Nikkaji: J80.423A

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 132

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 121 °C · 121 °C(Solv: benzene (71-43-2))
Boiling point: 127 · 127-128 °C/15 mmHg (lit.)
Density: 1.078 g/mL · 1.078 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.525(lit.)
Flash point: 65 °F · 65 °F
InChI: 1S/C12H16O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey: OSAOIDIGMBDXED-UHFFFAOYSA-N
SMILES: C1CCC(CC1)Oc2ccccc2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 2
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
safety_code: 9-16-26-33-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
target organs: Respiratory system
Hazard statements: H225-H315-H319-H335
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications

Chemistry & industry

Applications · 2 items

UsesCyclohexyl phenyl ether is an alkyl aryl ether. It undergoes thermolysis and aquathermolysis reactions to yield 1-methylcyclopentene and phenol as major products. Cyclohexyl phenyl ether can be synthesized from cyclohexyl bromide and phenol. It can also be prepared from 2-cyclohexen-1-one via oxidative aromatization in the presence of VO(OEt)Cl2 and cyclohexanol.

General DescriptionCyclohexyl phenyl ether is an alkyl aryl ether. It undergoes thermolysis and aquathermolysis reactions to yield 1-methylcyclopentene and phenol as major products. Cyclohexyl phenyl ether can be synthesized from cyclohexyl bromide and phenol. It can also be prepared from 2-cyclohexen-1-one via oxidative aromatization in the presence of VO(OEt)Cl2 and cyclohexanol.