Hexacyprone

Modify Date: 2025-09-17 23:29:28

Hexacyprone Structure
Hexacyprone structure
 Common Name Hexacyprone
CAS Number 892-01-3 Molecular Weight 260.32800
Density 1.139g/cm3 Boiling Point 439.1ºC at 760 mmHg
Molecular Formula C16H20O3 Melting Point N/A
MSDS N/A Flash Point 233.5ºC

 Names

Name 3-(1-benzyl-2-oxocyclohexyl)propanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.139g/cm3
Boiling Point 439.1ºC at 760 mmHg
Molecular Formula C16H20O3
Molecular Weight 260.32800
Flash Point 233.5ºC
Exact Mass 260.14100
PSA 54.37000
LogP 3.22340
Index of Refraction 1.546
InChIKey QQWBGHWKTDIMCX-UHFFFAOYSA-N
SMILES O=C(O)CCC1(Cc2ccccc2)CCCCC1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GV6740000
CHEMICAL NAME :
Cyclohexanepropionic acid, 1-benzyl-2-oxo-
CAS REGISTRY NUMBER :
892-01-3
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C16-H20-O3
MOLECULAR WEIGHT :
260.36
WISWESSER LINE NOTATION :
L6VTJ B2VQ B1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 162,54,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 162,54,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 162,54,1966

 Safety Information

HS Code 2918300090

 Synthetic Route

1-pyrrolidinocyclohexene structure

1-pyrrolidinocy...

CAS#:1125-99-1

~%

Hexacyprone Structure

Hexacyprone

CAS#:892-01-3

Literature: Fusco,R. et al. Farmaco, Edizione Scientifica, 1965 , vol. 20, p. 393 - 407
2-benzylcyclohexanone structure

2-benzylcyclohe...

CAS#:946-33-8

~%

Hexacyprone Structure

Hexacyprone

CAS#:892-01-3

Literature: Fusco,R. et al. Farmaco, Edizione Scientifica, 1965 , vol. 20, p. 393 - 407
Benzyl chloride structure

Benzyl chloride

CAS#:100-44-7

~%

Hexacyprone Structure

Hexacyprone

CAS#:892-01-3

Literature: Fusco,R. et al. Farmaco, Edizione Scientifica, 1965 , vol. 20, p. 393 - 407
2-Benzyl-2-[2-cyan-aethyl]-cyclohexanon structure

2-Benzyl-2-[2-c...

CAS#:3645-80-5

~%

Hexacyprone Structure

Hexacyprone

CAS#:892-01-3

Literature: Fusco,R. et al. Farmaco, Edizione Scientifica, 1965 , vol. 20, p. 393 - 407
3-[1-Benzyl-2-oxo-cyclohexyl]-propionsaeure-methylester structure

3-[1-Benzyl-2-o...

CAS#:2819-70-7

~%

Hexacyprone Structure

Hexacyprone

CAS#:892-01-3

Literature: Fusco,R. et al. Farmaco, Edizione Scientifica, 1965 , vol. 20, p. 393 - 407

 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

Hexaciprono [INN-Spanish]
1-Benzyl-2-oxo-cyclohexanepropionic acid
Cyclohexanepropionic acid,1-benzyl-2-oxo
Hexacypronum [INN-Latin]
Hexacyprone
3-<1-Benzyl-2-oxo-cyclohexyl>-propionsaeure
Esaciprone [DCIT]
2-Oxo-1-benzylcyclohexylpropionsaeure
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