4,4-dimethyloxolan-2-one

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Names

[ CAS No. ]:
13861-97-7

[ Name ]:
4,4-dimethyloxolan-2-one

[Synonym ]:
2(3H)-Furanone,dihydro-4,4-dimethyl
4,4-dimethyl-dihydro-furan-2-one
Dihydro-4,4-dimethyl-2(3H)-furanone
3,3-dimethylbutyrolactone
Dihydro-3,3-dimethyl-2(3H)-furanone
4,4-Dimethylbutyrolactone

Chemical & Physical Properties

[ Density]:
0.995g/cm3

[ Boiling Point ]:
191.5ºC at 760 mmHg

[ Molecular Formula ]:
C6H10O2

[ Molecular Weight ]:
114.14200

[ Flash Point ]:
66.9ºC

[ Exact Mass ]:
114.06800

[ PSA ]:
26.30000

[ LogP ]:
0.95950

[ Vapour Pressure ]:
0.513mmHg at 25°C

[ Index of Refraction ]:
1.428

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LU3569150
CHEMICAL NAME :
2(3H)-Furanone, dihydro-4,4-dimethyl-
CAS REGISTRY NUMBER :
13861-97-7
BEILSTEIN REFERENCE NO. :
0107181
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H10-O2
MOLECULAR WEIGHT :
114.16
WISWESSER LINE NOTATION :
T5OVTJ D1 D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 10,243,1960

Safety Information

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3,3-Dimethyloxetane
  • carbon monoxide
  • 3,3-dimethyl-4-hydroxy butyronitrile
  • D-(-)-Pantolactone
  • (E)-2-diazonio-1-(2-methylpropoxy)ethenolate
  • 2,2-dimethylbutane-1,4-diol
  • 4,4-dimethyltetrahydrofuran-2-ol
  • 2,2-Dimethyl-4-penten-1-ol
  • 3,3-Dimethyldihydro-2,5-furandione

DownStream

  • 2,2,-Dimethylsuccinate
  • D-(-)-Pantolactone
  • 4-bromo-3,3-dimethyl-butyric acid ethyl ester
  • ethyl 4-bromo-2,2-dimethylbutanoate

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 3-hydroxy-4,4-dimethyloxolan-2-one
  • (3R)-3-bromo-4,4-dimethyloxolan-2-one
  • (5R)-5-hydroxy-4,4-dimethyloxolan-2-one
  • (3R)-3-hydroxy-4,4-dimethyloxolan-2-one
  • (3S)-3-hydroxy-4,4-dimethyloxolan-2-one
  • (3R)-3-methoxy-4,4-dimethyloxolan-2-one
  • 2-Methylthiane-3-carboxylic acid
  • 1-methyl-4-nitro-5-(oxiran-2-yl)-1H-pyrazole
  • 5-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1,2-oxazole-4-carboxylic acid
  • 2-[1-(Hydroxymethyl)-2,2-dimethylcyclopropyl]-2-methylpropan-1-ol
  • N-methyl-1-(2,4,6-trimethoxyphenyl)cyclopropan-1-amine
  • 2-Amino-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
  • 1-(4-Chloro-2,5-difluorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
  • 3-Amino-2-(4-ethynylphenyl)-2-methylpropan-1-ol
  • 3-Hydroxy-1-[6-(trifluoromethyl)pyridin-3-yl]cyclobutane-1-carboxylic acid
  • 5-(4-Amino-1,2-oxazol-5-yl)-2-nitrophenol
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