1,3-Butanediol,2,2-dimethyl-

Suppliers

Names

[ CAS No. ]:
76-35-7

[ Name ]:
1,3-Butanediol,2,2-dimethyl-

[Synonym ]:
2,2-Dimethyl-1,3-butanediol
2,2-Dimethyl-1,3-butandiol
2,2-Dimethyl-butandiol-1,3
2,2-Dimethyl-butan-1,3-diol
2,2-dimethyl-butane-1,3-diol
1,3-BUTANEDIOL,2,2-DIMETHYL

Chemical & Physical Properties

[ Density]:
0.96g/cm3

[ Boiling Point ]:
200.5ºC at 760mmHg

[ Molecular Formula ]:
C6H14O2

[ Molecular Weight ]:
118.17400

[ Flash Point ]:
87.6ºC

[ Exact Mass ]:
118.09900

[ PSA ]:
40.46000

[ LogP ]:
0.38570

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK1700000
CHEMICAL NAME :
1,3-Butanediol, 2,2-dimethyl-
CAS REGISTRY NUMBER :
76-35-7
BEILSTEIN REFERENCE NO. :
1732846
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H14-O2
MOLECULAR WEIGHT :
118.20
WISWESSER LINE NOTATION :
QY1&X1&1&1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>10 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-hydroxy-2,2-dimethylbutanal
  • ethyl 3-hydroxy-2,2-dimethyl-butanoate
  • 2,4-dimethoxy-5,5,6-trimethyl-1,3,2-dioxaborinane
  • ch3cho
  • Isobutyraldehyde
  • (3,3-Dimethyloxiranyl)methanol
  • trimethylaluminum
  • METHYLMAGNESIUM IODIDE
  • 3-Hydroxy-2,2-dimethylpropanal

DownStream

  • 2-Methylbut-2-ene
  • 3,3-dimethyloxolane
  • 3-hydroxy-2,2-dimethylbutanoic acid
  • 3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-ol

Related Compounds

  • Hexanedioic acid,polymer with 1,3-butanediol,2,2-dimethyl-1,3-propanediol and 2,5-furandione
  • Adipic acid-1,4-butanediol-2,2-dimethyl-1,3-propanediol-1,2-ethanediol copo
  • 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate
  • 1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
  • 1,3-dicyano-2,2-dimethyl-cyclopropanecarboxylic acid
  • 1-[3-(methoxycarbonylmethyl)-2,2-dimethyl-cyclobutyl]ethyl acetate