4-methyl-2-penten-4-ol

Modify Date: 2025-09-25 11:15:26

4-methyl-2-penten-4-ol Structure
4-methyl-2-penten-4-ol structure
 Common Name 4-methyl-2-penten-4-ol
CAS Number 63468-05-3 Molecular Weight 100.15900
Density 0.843g/cm3 Boiling Point 112ºC at 760 mmHg
Molecular Formula C6H12O Melting Point N/A
MSDS N/A Flash Point 24.2ºC

 Names

Name 2-Methyl-3-penten-2-ol
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.843g/cm3
Boiling Point 112ºC at 760 mmHg
Molecular Formula C6H12O
Molecular Weight 100.15900
Flash Point 24.2ºC
Exact Mass 100.08900
PSA 20.23000
LogP 1.33340
Index of Refraction 1.441
InChIKey OWVUFBAJXKEVBE-UHFFFAOYSA-N
SMILES CC=CC(C)(C)O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SB3675000
CHEMICAL NAME :
2-Penten-4-ol, 4-methyl-
CAS REGISTRY NUMBER :
63468-05-3
LAST UPDATED :
199012
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C6-H12-O
MOLECULAR WEIGHT :
100.18
WISWESSER LINE NOTATION :
QX1&1&1U2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,7,1961 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,7,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1940 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,7,1961
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4390 ppm/1H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,7,1961

 Synthetic Route

3-Penten-2-ol, 4-methyl-, structure

3-Penten-2-ol, ...

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~63%

4-methyl-2-penten-4-ol Structure

4-methyl-2-pent...

CAS#:63468-05-3

Literature: Mitsudome, Takato; Sueoka, Shoichiro; Ikeda, Satoshi; Mizugaki, Tomoo; Jitsukawa, Koichiro; Kaneda, Kiyotomi ChemCatChem, 2013 , vol. 5, # 10 p. 2879 - 2882
METHYLMAGNESIUM IODIDE structure

METHYLMAGNESIUM...

CAS#:917-64-6

3-Penten-2-one structure

3-Penten-2-one

CAS#:625-33-2

~%

4-methyl-2-penten-4-ol Structure

4-methyl-2-pent...

CAS#:63468-05-3

Literature: Bacon; Farmer Journal of the Chemical Society, 1937 , p. 1068,1074
3-Penten-2-one structure

3-Penten-2-one

CAS#:625-33-2

METHYLMAGNESIUM BROMIDE structure

METHYLMAGNESIUM...

CAS#:75-16-1

~%

4-methyl-2-penten-4-ol Structure

4-methyl-2-pent...

CAS#:63468-05-3

Literature: Kohler American Chemical Journal, 1907 , vol. 38, p. 559 American Chemical Journal, 1908 , vol. 40, p. 217
2-Crotonoyl chloride structure

2-Crotonoyl chloride

CAS#:625-35-4

Dimethylzinc structure

Dimethylzinc

CAS#:544-97-8

~%

4-methyl-2-penten-4-ol Structure

4-methyl-2-pent...

CAS#:63468-05-3

Literature: Pawlowski Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften, 1872 , p. 349
Ethyl 2-butenoate structure

Ethyl 2-butenoate

CAS#:10544-63-5

METHYLMAGNESIUM BROMIDE structure

METHYLMAGNESIUM...

CAS#:75-16-1

~%

4-methyl-2-penten-4-ol Structure

4-methyl-2-pent...

CAS#:63468-05-3

Literature: van Keersbilck Bulletin des Societes Chimiques Belges, 1929 , vol. 38, p. 207 Chem. Zentralbl., 1929 , vol. 100, # II p. 2036
Ethyl 2-butenoate structure

Ethyl 2-butenoate

CAS#:10544-63-5

METHYLLITHIUM structure

METHYLLITHIUM

CAS#:917-54-4

~%

4-methyl-2-penten-4-ol Structure

4-methyl-2-pent...

CAS#:63468-05-3

Literature: Rozhkov,I.N.; Makin,S.M. J. Gen. Chem. USSR (Engl. Transl.), 1964 , vol. 34, # 1 p. 59 - 65,57 - 63
trans-4-methoxybut-3-en-2-one structure

trans-4-methoxy...

CAS#:31172-37-9

METHYLMAGNESIUM BROMIDE structure

METHYLMAGNESIUM...

CAS#:75-16-1

~%

4-methyl-2-penten-4-ol Structure

4-methyl-2-pent...

CAS#:63468-05-3

Literature: Spassky,A. Bulletin de la Societe Chimique de France, 1970 , p. 2954 - 2962
(Z)-1-propenylmagnesium bromide structure

(Z)-1-propenylm...

CAS#:13154-14-8

Acetone structure

Acetone

CAS#:67-64-1

~%

4-methyl-2-penten-4-ol Structure

4-methyl-2-pent...

CAS#:63468-05-3

Literature: Surzur,J.-M.; Teissier,P. Bulletin de la Societe Chimique de France, 1970 , p. 653 - 664

 Synonyms

2-methyl-pent-3-en-2-ol
1.1.3.3-Tetrabromo-2-propanol
2-Propanol,1,1,3,3-tetrabromo
1,1,3,3-tetrabromo-propan-2-ol
1.1.3-Trimethylallylalkohol
1.1.3-trimethylallyl alcohol
1,1,3,3-Tetrabrom-2-propanol
Dimethyl-propenyl-carbinol
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