Benzyl p-tolyl ether

HCID 70036

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Basic information

CAS: 834-25-3
Standard SMILES: Cc1ccc(OCc2ccccc2)cc1
InChIKey: CHBXCQHBCCLICW-UHFFFAOYSA-N
Molecular formula: C14H14O
Average molar mass: 198.26 g/mol
Monoisotopic mass: 198.10446507

Names & identifiers

Preferred name: Benzyl p-tolyl ether
IUPAC: 1-methyl-4-phenylmethoxybenzene
English name: benzyl p-tolyl ether
Molecular formula: C14H14O
Molecular weight: 198.26

Names & synonyms

Benzyl p-tolyl ether834-25-3Benzene, 1-methyl-4-(phenylmethoxy)-EINECS 212-636-8Benzyl 4-methylphenyl etherAI3-11682DTXSID90232318NSC 63054RefChem:566841DTXCID90154809212-636-81-(Benzyloxy)-4-methylbenzene

Show more names

p-Tolylbenzyl etherBenzyl p-cresyl etherOlopatadine Impurity 58Olopatadine Impurity 454-Methyl-1-benzyloxybenzene

Ether, benzyl p-tolyl1-methyl-4-phenylmethoxybenzeneMFCD00025985NSC-63054Benzene,1-methyl-4-(phenylmethoxy)-4-Benzyloxytoluenep-Kresylbenzylatherp-Tolyl benzyl ether

Database identifiers

CAS: 834-25-3
PubChem CID: 70036
DTXSID: DTXSID90232318
ChEMBL: CHEMBL3278099
UNII: Q89XED7DCR
EC Number: 212-636-8
Nikkaji: J110D

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 164

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 40 °C · 40 °C
Boiling point: 180 · 180-182 °C
Density: 1.041 · 1.041±0.06 g/cm3(Predicted)
CAS DataBase Reference: 834 · 834-25-3
FDA UNII: 89 XED7DCR · Q89XED7DCR
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313