3,3-Diphenylpropanoic acid

Modify Date: 2025-08-20 11:33:07

3,3-Diphenylpropanoic acid Structure
3,3-Diphenylpropanoic acid structure
Common Name 3,3-Diphenylpropanoic acid
CAS Number 102-16-9 Molecular Weight 226.270
Density 1.1±0.1 g/cm3 Boiling Point 335.0±11.0 °C at 760 mmHg
Molecular Formula C15H14O2 Melting Point N/A
MSDS Chinese USA Flash Point 139.9±17.6 °C
Symbol GHS09
GHS09
Signal Word Warning

 Names

Name Benzyl Phenylacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 335.0±11.0 °C at 760 mmHg
Molecular Formula C15H14O2
Molecular Weight 226.270
Flash Point 139.9±17.6 °C
Exact Mass 226.099380
PSA 26.30000
LogP 3.75
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.571
InChIKey MIYFJEKZLFWKLZ-UHFFFAOYSA-N
SMILES O=C(Cc1ccccc1)OCc1ccccc1

 Safety Information

Symbol GHS09
GHS09
Signal Word Warning
Hazard Statements H400
Precautionary Statements P273
Personal Protective Equipment Eyeshields;Gloves
Hazard Codes N
Risk Phrases 50/53
Safety Phrases 60-61
RIDADR UN 3082 9 / PGIII
WGK Germany 2
HS Code 2916399090

 Synthetic Route

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 3,3-Diphenylpropanoic acidBioassay

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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
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 Synonyms

Phenylacetic Acid Benzyl Ester
benzyl 2-phenylacetate
EINECS 203-008-4
Benzeneacetic acid, phenylmethyl ester
3,3-Diphenylpropanoic acid
MFCD00022045
Benzyl phenylacetate
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