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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 7113Generated: October 25, 2026

4-Acetylbiphenyl

TMBA · MESITOIC ACID · ACETYLBIPHENYL · 4-PHENYLACETOPHENONE · 4-BIPHENYL METHYL KETONE · 1-Biphenyl-4-yl-ethanone · AKOS 90586 · AKOS BAR-1322

https://huagongshe.com/en/chemical/7113

4-Acetylbiphenyl molecular structure

Identifiers & Physical Properties

CAS No.92-91-1
Molecular formulaC14H12O
Average molar mass196.24 g/mol
Monoisotopic mass196.088815 g/mol
SMILESCC(=O)c1ccc(-c2ccccc2)cc1
InChIKeyQCZZSANNLWPGEA-UHFFFAOYSA-N
PubChem CID7113
ChEMBLCHEMBL1522504
EC No.202-202-6
DTXSIDDTXSID6052619

Chemical & Physical Properties

XLogP3.7
Topological polar surface area17.1
Hydrogen bond donors0
Hydrogen bond acceptors1
Rotatable bonds2
Heavy atoms15
Formal charge0
Complexity207
SpringerMaterials PropertiesChemical shift
Melting point152-155 °C(lit.)
Boiling point325-327 °C
Density1.2510
Refractive index1.5920 (estimate)
Flash point168°C/8mm
Storage conditions2-8°C
Solubilitychloroform: soluble10mg/200microlitres, clear, colorless to faintly yellowinsoluble
Physical stateSolid
ColorWhite to Green to Brown
BRN1101615
InChIInChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyQCZZSANNLWPGEA-UHFFFAOYSA-N
SMILESC(=O)(C1=CC=C(C2=CC=CC=C2)C=C1)C
CAS DataBase Reference92-91-1(CAS DataBase Reference)
EWG's Food Scores1
FDA UNIIPX5XEZ9DQD
NIST Chemistry ReferenceEthanone, 1-[1,1'-biphenyl]-4-yl-(92-91-1)
EPA Substance Registry SystemEthanone, 1-[1,1'-biphenyl]-4-yl- (92-91-1)
UNSPSC Code41116107
NACRESNA.24
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH315-H319
GHS precautionary statementsP264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Personal protective equipment (PPE)Eyeshields, Gloves, type N95 (US)
Hazard symbolsXi
Risk statements (R)36/37/38
Safety statements (S)22-24/25-36-26
Water hazard class (WGK)3
RTECS numberDI0887010
TSCA inventory statusTSCA listed
Customs code29143900
Storage class11 - Combustible Solids
Hazard classEye Irrit. 2Skin Irrit. 2

Safety & Regulations

GHS classificationWarningH315 (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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory informationEthanone, 1-[1,1'-biphenyl]-4-yl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Personal protective equipment (PPE)Eyeshields, Gloves, type N95 (US)
Water hazard class (WGK)3
TSCA inventory statusTSCA listed
RTECS numberDI0887010
Customs code29143900
Risk statements (R)36/37/38
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXi
Safety statements (S)22-24/25-36-26
Storage class11 - Combustible Solids
GHS hazard statementsH315-H319
Hazard classEye Irrit. 2Skin Irrit. 2
GHS precautionary statementsP264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Applications & Uses

Uses

4-Acetylbiphenyl is involved in the study of inactivation of 7-ethoxy-4-trifluoromethylcoumarin ortho-deethylase activity by various arylalkynes. Further, it is used in the preparation of Schiffs base.

Uses

4-Acetylbiphenyl was used to study the inactivation of 7-ethoxy-4-trifluoromethylcoumarin O-deethylase activity by various arylalkynes. It may be used in the synthesis of Schiffs base.

Uses

Intermediates of Liquid Crystals