Benzene, [2-(cyclohexyloxy)ethyl]-

HCID 166527CAS 80858-47-5

Substructure search Find similar structures

Basic information

Standard SMILES: c1ccc(CCOC2CCCCC2)cc1
InChIKey: HLMIVULQFMULRM-UHFFFAOYSA-N
Molecular formula: C14H20O
Average molar mass: 204.31 g/mol
Monoisotopic mass: 204.15141526

Names & identifiers

Preferred name: Benzene, [2-(cyclohexyloxy)ethyl]-
IUPAC: 2-cyclohexyloxyethylbenzene
English name: PHENAFLEUR
Molecular formula: C14H20O
Molecular weight: 204.31

Names & synonyms

80858-47-5Benzene, [2-(cyclohexyloxy)ethyl]-Phenylethyl cyclohexyl ether[2-(cyclohexyloxy)ethyl]benzene(2-(Cyclohexyloxy)ethyl)benzeneEINECS 279-576-2Benzene, (2-(cyclohexyloxy)ethyl)-DTXSID4072869RefChem:562103DTXCID5048182Benzene, 2-(cyclohexyloxy)ethyl-279-576-2

Show more names

[2-(Cyclohexyloxy)ethyl]benzol[2-(cyclohexyloxy)ethyl]-benzen[2-(cyclohexyloxy)ethyl]-Benzene

2-cyclohexyloxyethylbenzenePHENAFLEURPhenyl ethyl cyclohexyl etherhyacinth etherCyclohexyl PhenethyletherSCHEMBL873249SCHEMBL2700538SCHEMBL6527498

Database identifiers

CAS: 80858-47-5
PubChem CID: 166527
DTXSID: DTXSID4072869
ChEMBL: CHEMBL5184796
EC Number: 279-576-2
Nikkaji: J320.325E

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 155

Experimental & physicochemical properties

FragrancesFragrance Ingredient ([2-(Cyclohexyloxy)ethyl]benzene) -> IFRA transparency List

Physicochemical properties

Boiling point: 283.8 ℃[at · 283.8℃[at 101 325 Pa]
Density: 0.97 · 0.97[at 20℃]
vapor pressure: 0.54 Pa · 0.54Pa at 24℃
Odor: 100 % · at 100.00 %. floral hyacinth green metallic fruity raspberry balsam
Odor Type: floral
Water Solubility: 780.2 mg/L · 780.2mg/L at 24℃
Cosmetics Ingredients Functions: PERFUMING
LogP: 4.9 at · 4.9 at 25℃
EPA Substance Registry System: 2 · Benzene, [2-(cyclohexyloxy)ethyl]- (80858-47-5)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H410-H400-H317
Precautionary statements: 273 · P273-P391-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 96.3% (78 of 81) of all reports.

Not Classified

Aggregated GHS information provided per 81 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: Benzene, [2-(cyclohexyloxy)ethyl]-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 11-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19515

Benzene, 2-(cyclohexyloxy)ethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07,GHS09
Hazard statements: H315-H410-H400-H317
REACH Registrations: Active
Precautionary statements: P273-P391-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501