p-Phenoxytoluene

HCID 74351

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Basic information

CAS: 1706-12-3
Standard SMILES: Cc1ccc(Oc2ccccc2)cc1
InChIKey: SSTNIXFHCIOCJI-UHFFFAOYSA-N
Molecular formula: C13H12O
Average molar mass: 184.23 g/mol
Monoisotopic mass: 184.088815

Names & identifiers

Preferred name: p-Phenoxytoluene
IUPAC: 1-methyl-4-phenoxybenzene
English name: 1-Methyl-4-phenoxy-benzene
Molecular formula: C13H12O
Molecular weight: 184.23

Names & synonyms

1-Methyl-4-phenoxybenzenep-PhenoxytolueneBenzene, 1-methyl-4-phenoxy-RB3VA23S6DEINECS 216-944-3NSC-83594DTXSID3061891RefChem:169376DTXCID5035452216-944-3SSTNIXFHCIOCJI-UHFFFAOYSA-N1706-12-3

Show more names

4-Methylphenylphenyl etherPhenyl 4-methylphenyl etherPhenyl(4-methylphenyl) ether

1-Methyl-4-phenoxy-benzenep-Tolyl phenyl etherPhenyl p-tolyl ether4-Methyldiphenyl etherEther, phenyl p-tolyl4-Methylphenyl phenyl etherp-Cresol phenyl etherp-Methylphenyl phenyl ether

Database identifiers

CAS: 1706-12-3
PubChem CID: 74351
DTXSID: DTXSID3061891
UNII: RB3VA23S6D
EC Number: 216-944-3
Nikkaji: J59.954I

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 153

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 104 °C · 104 °C
Boiling point: 277 · 277-278 °C(Press: 145.5 Torr)
Density: 1.045 · 1.045±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Odor: 1 % · at 1.00 % in dipropylene glycol. narcissus rose floral
Appearance: Colorless to yellow Liquid
Odor Type: floral
LogP: 4.561 · 4.561 (est)
FDA UNII: 3 VA23S6D · RB3VA23S6D
EPA Substance Registry System: 1 · Benzene, 1-methyl-4-phenoxy- (1706-12-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
TSCA: TSCA listed
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.