3-anilino-5,5-dimethyl-2-cyclohexen-1-one

Modify Date: 2024-01-31 10:58:30

3-anilino-5,5-dimethyl-2-cyclohexen-1-one Structure
3-anilino-5,5-dimethyl-2-cyclohexen-1-one structure
 Common Name 3-anilino-5,5-dimethyl-2-cyclohexen-1-one
CAS Number 18940-21-1 Molecular Weight 215.29100
Density 1.089g/cm3 Boiling Point 331.6ºC at 760 mmHg
Molecular Formula C14H17NO Melting Point N/A
MSDS N/A Flash Point 123.9ºC

 Names

Name 3-anilino-5,5-dimethylcyclohex-2-en-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.089g/cm3
Boiling Point 331.6ºC at 760 mmHg
Molecular Formula C14H17NO
Molecular Weight 215.29100
Flash Point 123.9ºC
Exact Mass 215.13100
PSA 29.10000
LogP 3.44450
Vapour Pressure 0.000154mmHg at 25°C
Index of Refraction 1.582

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW7190800
CHEMICAL NAME :
2-Cyclohexen-1-one, 5,5-dimethyl-3-(phenylamino)-
CAS REGISTRY NUMBER :
18940-21-1
BEILSTEIN REFERENCE NO. :
2097764
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H17-N-O
MOLECULAR WEIGHT :
215.32

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 36,1947,1993
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 36,1947,1993

 Safety Information

HS Code 2922399090

 Synthetic Route

Dimedone structure

Dimedone

CAS#:126-81-8

structure

CAS#:74497-02-2

~96%

3-anilino-5,5-dimethyl-2-cyclohexen-1-one Structure

3-anilino-5,5-d...

CAS#:18940-21-1

Literature: Siddiqui, Zeba N.; Khan, Kulsum; Ahmed, Nayeem Catalysis Letters, 2014 , vol. 144, # 4 p. 623 - 632
5,5-Dimethyl-3-aminocyclohex-2-enone structure

5,5-Dimethyl-3-...

CAS#:873-95-0

Chlorobenzene structure

Chlorobenzene

CAS#:108-90-7

~95%

3-anilino-5,5-dimethyl-2-cyclohexen-1-one Structure

3-anilino-5,5-d...

CAS#:18940-21-1

Literature: Edmondson, Scott D.; Mastracchio, Anthony; Parmee, Emma R. Organic Letters, 2000 , vol. 2, # 8 p. 1109 - 1112
Bromobenzene structure

Bromobenzene

CAS#:108-86-1

5,5-Dimethyl-3-aminocyclohex-2-enone structure

5,5-Dimethyl-3-...

CAS#:873-95-0

~68%

3-anilino-5,5-dimethyl-2-cyclohexen-1-one Structure

3-anilino-5,5-d...

CAS#:18940-21-1

Literature: Edmondson, Scott D.; Mastracchio, Anthony; Parmee, Emma R. Organic Letters, 2000 , vol. 2, # 8 p. 1109 - 1112
Dimedone structure

Dimedone

CAS#:126-81-8

~%

3-anilino-5,5-dimethyl-2-cyclohexen-1-one Structure

3-anilino-5,5-d...

CAS#:18940-21-1

Literature: Akhrem, A. A.; Lakhvich, F. A.; Pyrko, A. N. Journal of Organic Chemistry USSR (English Translation), 1983 , p. 2027 - 2033 Zhurnal Organicheskoi Khimii, 1983 , vol. 19, # 11 p. 2322 - 2328
2-(2-acetyl-5,5-dimethyl-3-oxocyclohexyl)-5,5-dimethylcyclohexane-1,3-dione structure

2-(2-acetyl-5,5...

CAS#:89129-64-6

structure

CAS#:74497-02-2

~73%

3-anilino-5,5-dimethyl-2-cyclohexen-1-one Structure

3-anilino-5,5-d...

CAS#:18940-21-1

Literature: Akhrem, A. A.; Lakhvich, F. A.; Pyrko, A. N. Journal of Organic Chemistry USSR (English Translation), 1983 , p. 2027 - 2033 Zhurnal Organicheskoi Khimii, 1983 , vol. 19, # 11 p. 2322 - 2328
3-Anilino-2-hexamethyleniminomethyl-5,5-dimethyl-2-cyclohexen-1-on structure

3-Anilino-2-hex...

CAS#:76159-20-1

~%

3-anilino-5,5-dimethyl-2-cyclohexen-1-one Structure

3-anilino-5,5-d...

CAS#:18940-21-1

2,2'-Methylen-bis(3-anilino-5,5-dimethyl-2-cyclohexen-1-on) structure

2,2'-Methylen-b...

CAS#:72012-84-1

Literature: Moehrle, H.; Herbke, J. Pharmazie, 1980 , vol. 35, # 7 p. 389 - 393
5,5-Dimethyl-cyclohex-2-enone-3-ol structure

5,5-Dimethyl-cy...

CAS#:3471-13-4

structure

CAS#:74497-02-2

~88%

3-anilino-5,5-dimethyl-2-cyclohexen-1-one Structure

3-anilino-5,5-d...

CAS#:18940-21-1

Literature: Edafiogho; Hinko; Chang; Moore; Mulzac; Nicholson; Scott Journal of Medicinal Chemistry, 1992 , vol. 35, # 15 p. 2798 - 2805

 Customs

HS Code 2922399090
Summary 2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

5,5-dimethyl-3-phenylamino-cyclohex-2-enone
5,5-dimethyl-3-phenylaminocyclohex-2-en-1-one
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Chemsrc provides CAS#:18940-21-1 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-anilino-5,5-dimethyl-2-cyclohexen-1-one>> amp version: 3-anilino-5,5-dimethyl-2-cyclohexen-1-one

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