CAS 50463-48-4 3-(4-Benzyloxyphenyl)propionic acid (HCID 561372)

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Basic information

CAS: 50463-48-4
Standard SMILES: O=C(O)CCc1ccc(OCc2ccccc2)cc1
InChIKey: QTSAUVQZNADEKS-UHFFFAOYSA-N
Molecular formula: C16H16O3
Average molar mass: 256.3 g/mol
Monoisotopic mass: 256.10994437

Names & identifiers

Preferred name: 3-(4-Benzyloxyphenyl)propionic acid
IUPAC: 3-(4-phenylmethoxyphenyl)propanoic acid
English name: 3-[4-(BENZYLOXY)PHENYL]PROPIONIC ACID
Molecular formula: C16H16O3
Molecular weight: 256.3

Names & synonyms

50463-48-43-(4-benzyloxyphenyl)propionic acid3-(4-(benzyloxy)phenyl)propanoic acid3-[4-(benzyloxy)phenyl]propionic acid3-[4-(Benzyloxy)phenyl]propanoic acid3-(4-phenylmethoxyphenyl)propanoic acid3-(4-Benzyloxyphenyl)propanoic acidMFCD01570264Benzenepropanoic acid, 4-(phenylmethoxy)-Benzyloxyphenylpropanoic AcidCHEMBL16884523-(4-benzyloxy-phenyl)-propionic acid

Show more names

Maybridge3_0034803-(4-BenzyloOprea1_164561SCHEMBL1134648DTXSID30340082TQP0067HMS1440O04Benzenepropionic acid, 4-benzyloxy-

Database identifiers

CAS: 50463-48-4
PubChem CID: 561372
DTXSID: DTXSID30340082
ChEMBL: CHEMBL1688452
EC Number: 688-351-1
Nikkaji: J1.566.031G

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 263

Experimental & physicochemical properties

LogP3.31

Physicochemical properties

Melting point: 116 · 116-118℃
storage temp.: Store at room temperature
Appearance: White to off-white Solid
CAS DataBase Reference: 50463 · 50463-48-4
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.