3,5,5-trimethylcyclohex-3-en-1-one

Modify Date: 2024-01-15 01:12:48

3,5,5-trimethylcyclohex-3-en-1-one Structure
3,5,5-trimethylcyclohex-3-en-1-one structure
 Common Name 3,5,5-trimethylcyclohex-3-en-1-one
CAS Number 471-01-2 Molecular Weight 138.20700
Density 0.905g/cm3 Boiling Point 189.2ºC at 760mmHg
Molecular Formula C9H14O Melting Point N/A
MSDS N/A Flash Point 64.2ºC

 Names

Name 3,5,5-trimethylcyclohex-3-en-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.905g/cm3
Boiling Point 189.2ºC at 760mmHg
Molecular Formula C9H14O
Molecular Weight 138.20700
Flash Point 64.2ºC
Exact Mass 138.10400
PSA 17.07000
LogP 2.32180
Vapour Pressure 0.578mmHg at 25°C
Index of Refraction 1.455

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW7800000
CHEMICAL NAME :
3-Cyclohexen-1-one, 3,5,5-trimethyl-
CAS REGISTRY NUMBER :
471-01-2
LAST UPDATED :
199703
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H14-O
MOLECULAR WEIGHT :
138.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0521606
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0521606 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2950 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Gastrointestinal - other changes Liver - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0521606

 Synthetic Route

Isophorone structure

Isophorone

CAS#:78-59-1

~82%

3,5,5-trimethylcyclohex-3-en-1-one Structure

3,5,5-trimethyl...

CAS#:471-01-2

Literature: Constantino, Mauricio Gomes; Donate, Paulo Marcos; Frederico, Daniel; Carvalho, Tecia Vieira; Cardoso, Luiz Eduardo; Zukerman-Schpector, Julio Synthetic Communications, 2000 , vol. 30, # 18 p. 3327 - 3340
Isophorone structure

Isophorone

CAS#:78-59-1

~%

4,4,6-TRIMETHYL-7-OXABICYCLO(4.1.0)HEPTAN-2-ONE structure

4,4,6-TRIMETHYL...

CAS#:10276-21-8

3,5,5-trimethylcyclohex-3-en-1-one Structure

3,5,5-trimethyl...

CAS#:471-01-2

Literature: Hutter, R.; Mallat, T.; Baiker, A. Journal of the Chemical Society, Chemical Communications, 1995 , # 24 p. 2487 - 2488
Isophorone structure

Isophorone

CAS#:78-59-1

METHYLMAGNESIUM BROMIDE structure

METHYLMAGNESIUM...

CAS#:75-16-1

~%

3,5,5-trimethylcyclohex-3-en-1-one Structure

3,5,5-trimethyl...

CAS#:471-01-2

Literature: Kharasch; Tawney Journal of the American Chemical Society, 1941 , vol. 63, p. 2308,2313 Journal of the American Chemical Society, 1945 , vol. 67, p. 128,130
Isophorone structure

Isophorone

CAS#:78-59-1

METHYLMAGNESIUM BROMIDE structure

METHYLMAGNESIUM...

CAS#:75-16-1

~%

3,5,5-trimethylcyclohex-3-en-1-one Structure

3,5,5-trimethyl...

CAS#:471-01-2

1,5,5,1',5',4'-hexamethyl-bicyclohexyl-3,3'-dione structure

1,5,5,1',5',4'-...

CAS#:3264-17-3

Literature: Kharasch; Tawney Journal of the American Chemical Society, 1941 , vol. 63, p. 2308,2313 Journal of the American Chemical Society, 1945 , vol. 67, p. 128,130 Full Text Show Details Kharasch et al. Journal of Organic Chemistry, 1956 , vol. 21, p. 322 Anm. 4
Acetone structure

Acetone

CAS#:67-64-1

~%

Isophorone structure

Isophorone

CAS#:78-59-1

3,5,5-trimethylcyclohex-3-en-1-one Structure

3,5,5-trimethyl...

CAS#:471-01-2

Literature: Wolff Justus Liebigs Annalen der Chemie, 1902 , vol. 322, p. 389 Full Text Show Details Bredt; Ruebel Justus Liebigs Annalen der Chemie, 1898 , vol. 299, p. 179 Full Text Show Details Tissier Annales de Chimie (Cachan, France), 1893 , vol. <6>29, p. 335 Full Text Show Details Kerp Justus Liebigs Annalen der Chemie, 1896 , vol. 290, p. 148 Full Text Show Details Kerp; Mueller Justus Liebigs Annalen der Chemie, 1898 , vol. 299, p. 214 Full Text Show Details Bredt; Ruebel Justus Liebigs Annalen der Chemie, 1896 , vol. 289, p. 10 Justus Liebigs Annalen der Chemie, 1898 , vol. 299, p. 166
Mesityl oxide structure

Mesityl oxide

CAS#:141-79-7

Ethyl acetoacetate structure

Ethyl acetoacetate

CAS#:141-97-9

~%

Isophorone structure

Isophorone

CAS#:78-59-1

3,5,5-trimethylcyclohex-3-en-1-one Structure

3,5,5-trimethyl...

CAS#:471-01-2

Literature: Wolff Justus Liebigs Annalen der Chemie, 1902 , vol. 322, p. 389
Isophorone structure

Isophorone

CAS#:78-59-1

Diethyl ether structure

Diethyl ether

CAS#:60-29-7

METHYLMAGNESIUM BROMIDE structure

METHYLMAGNESIUM...

CAS#:75-16-1

Ferric chloride structure

Ferric chloride

CAS#:7705-08-0

~%

Detail
Literature: Kharasch; Tawney Journal of the American Chemical Society, 1941 , vol. 63, p. 2308,2313 Journal of the American Chemical Society, 1945 , vol. 67, p. 128,130

 Synonyms

3,3,5-trimethyl-cyclohex-4-en-1-one
3,5,5-TRIMETHYL-3-CYCLOHEXEN-1-ONE
3,5,5-trimethylcyclohexa-3-en-1-one
3-Cyclohexen-1-one,3,5,5-trimethyl
3,5,5-trimethylcyclohexa-3-en-one
trimethyl-3,5,5 cyclohexene-3 one-1
3,5,5-Trimethyl-3-cyclohexen-1-one
EINECS 207-434-1
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Chemsrc provides 3,5,5-trimethylcyclohex-3-en-1-one(CAS#:471-01-2) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 3,5,5-trimethylcyclohex-3-en-1-one are included as well.>> amp version: 3,5,5-trimethylcyclohex-3-en-1-one

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