.beta.-Neopentylallyl alcohol

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Names

[ Name ]:
.beta.-Neopentylallyl alcohol

[Synonym ]:
2-Neopentyl-2-propen-1-ol
2-Methylol-4,4-dimethylpent-1-en
2-neopentyl-allyl alcohol
2-Neopentyl-allylalkohol

Chemical & Physical Properties

[ 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

Toxicological Information

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 Unpublished Report.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 Unpublished Report.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 Unpublished Report.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

Safety Information

[ HS Code ]:
2905290000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2,4,4-Trimethylpent-1-ene
Oxirane,2-(2,2-dimethylpropyl)-2-methyl-
1-Pentene,2-(chloromethyl)-4,4-dimethyl-

DownStream

Customs

[ 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%

Related Compounds

.beta.-D-Fructopyranose, 1,3,4,5-tetraacetate
.beta.-D-Glucofuranose, 1,5:3,6-dianhydro-, acetate
.beta.-D-Allofuranoside, methyl
.beta.-D-Galactopyranoside, ethyl 6-O-.beta.-D-galactopyranosyl-
.beta.-D-Galactopyranoside, 4-hydroxybutyl 6-O-.beta.-D-galactopyranosyl-
.beta.-D-Glucofuranosiduronic acid, phenyl 1-thio-, .gamma.-lactone, 2,5-diacetate
2-Iodo-4-methoxy-5-{2-[(2-methoxybenzyl)amino]ethyl}phenol
3,4-Dichloro-N-{[1-(dimethylamino)cyclohexyl]methyl}benzene-1-sulfonamide
N-{[1-(Dimethylamino)cyclohexyl]methyl}-1-adamantanecarboxamide
N-{[1-(Dimethylamino)cyclohexyl]methyl}-3-fluorobenzamide
2,3-Dihydro-2-(2-methylphenyl)-3-(phenylmethylene)-1H-benz[de]isoquinolin-1-one
3,4-Difluoro Propyl U-47700
rel-N-[(1R,2R)-2-(Diethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
N-Acetyl-beta-Neuraminic acid 9-(dihydrogen phosphate)
Methyl (2-{[({1-[3,5-bis(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)(methoxyimino)acetate
(2R)-2-[4-[(5-Chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-propen-1-yloxy)propanamide

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