.beta.-Neopentylallyl alcohol

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Names

[ CAS No. ]:
4379-17-3

[ 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 Unpublished Report.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 Unpublished Report.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 Unpublished Report.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