CAS 14578-67-7 4,4-Diphenylbutanoic acid (HCID 274383)

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Basic information

CAS: 14578-67-7
Standard SMILES: O=C(O)CCC(c1ccccc1)c1ccccc1
InChIKey: FLSBZXWDASEHJU-UHFFFAOYSA-N
Molecular formula: C16H16O2
Average molar mass: 240.3 g/mol
Monoisotopic mass: 240.11502975

Names & identifiers

Preferred name: 4,4-Diphenylbutanoic acid
IUPAC: 4,4-diphenylbutanoic acid
English name: 4,4-Diphenylbutanoic acid
Molecular formula: C16H16O2
Molecular weight: 240.3

Names & synonyms

4,4-diphenylbutanoic acid14578-67-7DTXSID90298050RefChem:285071DTXCID30249187669-264-8Benzenebutanoic acid, g-phenyl-NSC120412diphenylethylacetic acid4,4-diphenylbutyric acid4,4-Diphenyl-butyric acidSCHEMBL3674189

Show more names

FLSBZXWDASEHJU-UHFFFAOYSA-NMFCD00015391AKOS022506973NSC-120412SY416460DS-010107AB-131/42301623

Database identifiers

CAS: 14578-67-7
PubChem CID: 274383
DTXSID: DTXSID90298050
EC Number: 669-264-8
Nikkaji: J2.492.248K

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 232

Physicochemical properties

Symbol(GHS): 7 · GHS07,GHS09,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H335-H400-H302-H315
Precautionary statements: 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS09,GHS05
Hazard statements: H318-H335-H400-H302-H315
Precautionary statements: P273-P391-P501-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362