.beta.-Neopentylallyl alcohol

Modify Date: 2025-08-25 18:47:35

.beta.-Neopentylallyl alcohol structure	Common Name	.beta.-Neopentylallyl alcohol
	CAS Number	4379-17-3	Molecular Weight	128.21200
	Density	0.837g/cm3	Boiling Point	159ºC at 760 mmHg
	Molecular Formula	C₈H₁₆O	Melting Point	N/A
	MSDS	N/A	Flash Point	56.3ºC

Name	4,4-dimethyl-2-methylidenepentan-1-ol
Synonym	More Synonyms

Density	0.837g/cm3
Boiling Point	159ºC at 760 mmHg
Molecular Formula	C₈H₁₆O
Molecular Weight	128.21200
Flash Point	56.3ºC
Exact Mass	128.12000
PSA	20.23000
LogP	1.97110
Index of Refraction	1.438
InChIKey	SSTMSMYLTOSLSY-UHFFFAOYSA-N
SMILES	C=C(CO)CC(C)(C)C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UD5425000

CHEMICAL NAME :: 2-Propen-1-ol, beta-neopentyl-

CAS REGISTRY NUMBER :: 4379-17-3

BEILSTEIN REFERENCE NO. :: 1700644

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C8-H16-O

MOLECULAR WEIGHT :: 128.24

WISWESSER LINE NOTATION :: Q1YU1&1X1&1&1

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 Unpublished Report.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 :: 4 gm/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 Unpublished Report.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 :: 3200 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 Unpublished Report.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

HS Code	2905290000

2,4,4-Trimethyl...

CAS#:107-39-1

.beta.-Neopenty...

CAS#:4379-17-3

Literature: Byers; Hickinbottom Journal of the Chemical Society, 1948 , p. 1328,1329

Oxirane,2-(2,2-...

CAS#:107-48-2

.beta.-Neopenty...

CAS#:4379-17-3

Literature: Gasson et al. Journal of the Chemical Society, 1954 , p. 2170,2177

1-Pentene,2-(ch...

CAS#:14090-26-7

.beta.-Neopenty...

CAS#:4379-17-3

Literature: Bilas, W.; Hoebold, W.; Pritzkow, W. Journal fuer Praktische Chemie (Leipzig), 1982 , vol. 324, # 1 p. 125 - 141

2,4,4-Trimethyl...

CAS#:107-39-1

~0%

2,4,4-trimethyl...

CAS#:51483-32-0

.beta.-Neopenty...

CAS#:4379-17-3

4,4-Dimethyl-2-...

CAS#:6144-93-0

Detail

Literature: Bilas, W.; Hoebold, W.; Pritzkow, W. Journal fuer Praktische Chemie (Leipzig), 1982 , vol. 324, # 1 p. 125 - 141

Precursor 3
CAS#:107-39-1 2,4,4-Trimethyl... CAS#:107-48-2 Oxirane,2-(2,2-... CAS#:14090-26-7 1-Pentene,2-(ch...
DownStream 0

HS Code	2905290000
Summary	2905290000 unsaturated monohydric alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

2-Neopentyl-2-propen-1-ol

2-Methylol-4,4-dimethylpent-1-en

2-neopentyl-allyl alcohol

2-Neopentyl-allylalkohol

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.beta.-Neopentylallyl alcohol

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

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.