4-(2-PHENYLETHYL)BENZOPHENONE

Modify Date: 2025-08-25 19:22:59

4-(2-PHENYLETHYL)BENZOPHENONE Structure
4-(2-PHENYLETHYL)BENZOPHENONE structure
 Common Name 4-(2-PHENYLETHYL)BENZOPHENONE
CAS Number 91036-10-1 Molecular Weight 286.36700
Density 1.096g/cm3 Boiling Point 420.4ºC at 760mmHg
Molecular Formula C21H18O Melting Point 82-84ºC
MSDS N/A Flash Point 182.3ºC

 Names

Name phenyl-[4-(2-phenylethyl)phenyl]methanone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.096g/cm3
Boiling Point 420.4ºC at 760mmHg
Melting Point 82-84ºC
Molecular Formula C21H18O
Molecular Weight 286.36700
Flash Point 182.3ºC
Exact Mass 286.13600
PSA 17.07000
LogP 4.70280
Index of Refraction 1.606
InChIKey OCIICNRVGIWCOF-UHFFFAOYSA-N
SMILES O=C(c1ccccc1)c1ccc(CCc2ccccc2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ1815000
CHEMICAL NAME :
Benzophenone, 4-phenethyl-
CAS REGISTRY NUMBER :
91036-10-1
BEILSTEIN REFERENCE NO. :
3326811
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H18-O
MOLECULAR WEIGHT :
286.39
WISWESSER LINE NOTATION :
RVR D2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 19,326,1985

 Safety Information

Safety Phrases 22-24/25

 Synthetic Route

phenylene-ethylene structure

phenylene-ethylene

CAS#:292638-84-7

4-Bromobenzophenone structure

4-Bromobenzophenone

CAS#:90-90-4

~55%

4-(2-PHENYLETHYL)BENZOPHENONE Structure

4-(2-PHENYLETHY...

CAS#:91036-10-1

Literature: Chami, Zoubida; Gareil, Monique; Pinson, Jean; Saveant, Jean-Michel; Thiebault, Andre Journal of Organic Chemistry, 1991 , vol. 56, # 2 p. 586 - 595
4-Bromobenzophenone structure

4-Bromobenzophenone

CAS#:90-90-4

(2-Phenylethyl)boronic acid structure

(2-Phenylethyl)...

CAS#:34420-17-2

~79%

4-(2-PHENYLETHYL)BENZOPHENONE Structure

4-(2-PHENYLETHY...

CAS#:91036-10-1

Literature: Molander, Gary A.; Yun, Chang-Soo Tetrahedron, 2002 , vol. 58, # 8 p. 1465 - 1470
Benzoyl chloride structure

Benzoyl chloride

CAS#:98-88-4

Bibenzyl structure

Bibenzyl

CAS#:103-29-7

~%

4-(2-PHENYLETHYL)BENZOPHENONE Structure

4-(2-PHENYLETHY...

CAS#:91036-10-1

Literature: Buu-Hoi et al. Recueil des Travaux Chimiques des Pays-Bas, 1948 , vol. 67, p. 795,812

 Synonyms

4-Phenethylbenzophenone
Benzophenone,4-phenethyl
4-Phenaethyl-benzophenon
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