2-Oxo-1-phenylcyclohexanepropionic acid

Modify Date: 2024-02-17 11:19:17

2-Oxo-1-phenylcyclohexanepropionic acid Structure
2-Oxo-1-phenylcyclohexanepropionic acid structure
Common Name 2-Oxo-1-phenylcyclohexanepropionic acid
CAS Number 2819-68-3 Molecular Weight 246.30200
Density 1.149g/cm3 Boiling Point 434.8ºC at 760 mmHg
Molecular Formula C15H18O3 Melting Point N/A
MSDS N/A Flash Point 230.9ºC

 Names

Name 3-(2-Oxo-1-phenylcyclohexyl)propanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.149g/cm3
Boiling Point 434.8ºC at 760 mmHg
Molecular Formula C15H18O3
Molecular Weight 246.30200
Flash Point 230.9ºC
Exact Mass 246.12600
PSA 54.37000
LogP 2.93230
Vapour Pressure 2.49E-08mmHg at 25°C
Index of Refraction 1.544

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GV6805000
CHEMICAL NAME :
Cyclohexanepropionic acid, 2-oxo-1-phenyl-
CAS REGISTRY NUMBER :
2819-68-3
BEILSTEIN REFERENCE NO. :
2655544
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H18-O3
MOLECULAR WEIGHT :
246.33
WISWESSER LINE NOTATION :
L6VTJ B2VQ BR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 20,393,1965

 Safety Information

HS Code 2918300090

 Synthetic Route

~85%

2-Oxo-1-phenylcyclohexanepropionic acid Structure

2-Oxo-1-phenylc...

CAS#:2819-68-3

Literature: BRISTOL-MYERS SQUIBB COMPANY; DAS, Jagabandhu; KO, Soo Sung Patent: WO2012/40532 A1, 2012 ; Location in patent: Page/Page column 36-37 ; WO 2012/040532 A1

~%

2-Oxo-1-phenylcyclohexanepropionic acid Structure

2-Oxo-1-phenylc...

CAS#:2819-68-3

Literature: BRISTOL-MYERS SQUIBB COMPANY; DAS, Jagabandhu; KO, Soo Sung Patent: WO2012/40532 A1, 2012 ; WO 2012/040532 A1

~%

2-Oxo-1-phenylcyclohexanepropionic acid Structure

2-Oxo-1-phenylc...

CAS#:2819-68-3

Literature: Fischer, Friedrich; Palitzsch, Peter Zeitschrift fuer Chemie (Stuttgart, Germany), 1982 , vol. 22, # 8 p. 309 - 310

 Customs

HS Code 2918300090
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

Cyclohexanepropionic acid,2-oxo-1-phenyl
2-Oxo-1-phenylcyclohexanepropionic acid
3-<1-Phenyl-2-oxo-cyclohexyl>-propionsaeure
3-<2-Oxo-1-phenyl-cyclohexyl>-propionsaeure