4-methyl-2-penten-4-ol

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

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

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

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

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 Unpublished Report.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 Unpublished Report.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 Unpublished Report.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 Unpublished Report.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

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Literature: Pawlowski Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften, 1872 , p. 349

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

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Literature: Rozhkov,I.N.; Makin,S.M. J. Gen. Chem. USSR (Engl. Transl.), 1964 , vol. 34, # 1 p. 59 - 65,57 - 63

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Literature: Spassky,A. Bulletin de la Societe Chimique de France, 1970 , p. 2954 - 2962

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

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Product Name: 4-methyl-2-penten-4-ol
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Purity: 98.0%
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4-methyl-2-penten-4-ol

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.