Basic information
- CAS
2901-34-0- Standard SMILES
O=C(O)C(CCc1ccccc1)c1ccccc1- InChIKey
FZFIAPLRITZLME-UHFFFAOYSA-N- Molecular formula
- C16H16O2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.11502975
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,4-Diphenylbutanoic acid
- IUPAC
- 2,4-diphenylbutanoic acid
- English name
- Benzenebutanoic acid, α-phenyl-
- Molecular formula
- C16H16O2
- Molecular weight
- 240.3
Names & synonyms
2,4-diphenylbutanoic acid2901-34-0DTXSID9013474182,4-Diphenylbutyric acidRefChem:443871DTXCID901776138827-532-32,4-diphenylbutanoicacid2,4-diphenyl-butyric acidOprea1_663123SCHEMBL396914CAA90134
Show more names
Benzenebutanoic acid, α-phenyl-
AKOS017547941EBC-627345EN300-701333G53170
Database identifiers
- CAS
2901-34-0- PubChem CID
- 3575596
- DTXSID
DTXSID901347418- EC Number
- 827-532-3
- Nikkaji
- J1.408.468A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 110 °C · 110 °C
- Boiling point
- 190 °C · 190 °C(Press: 1 Torr)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- 4.22 · 4.22±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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