5-Methyl-2,3-hexanedione

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Names

[ CAS No. ]:
13706-86-0

[ Name ]:
5-Methyl-2,3-hexanedione

[Synonym ]:
5-Methyl-2,3-hexanedione
2,3-Hexanedione, 5-methyl-
EINECS 237-241-8
Acetylisovaleryl
5-Methylhexane-2,3-dione

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
138.0±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C7H12O2

[ Molecular Weight ]:
128.169

[ Flash Point ]:
41.7±4.4 °C

[ Exact Mass ]:
128.083725

[ PSA ]:
34.14000

[ LogP ]:
0.08

[ Vapour Pressure ]:
6.9±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.412

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO3200000
CHEMICAL NAME :
2,3-Hexanedione, 5-methyl-
CAS REGISTRY NUMBER :
13706-86-0
BEILSTEIN REFERENCE NO. :
1745751
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H12-O2
MOLECULAR WEIGHT :
128.19
WISWESSER LINE NOTATION :
1Y1&1VV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,637,1982 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,637,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,637,1982

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R10

[ Safety Phrases ]:
S16

[ RIDADR ]:
UN 1224

[ HS Code ]:
2914190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 5-methylhex-1-en-3-one
  • 1-(3-propan-2-yloxiran-2-yl)ethanone
  • 3-hydroxyimino-5-methylhexan-2-one
  • Ethyl Isobutyl Ketone
  • methyl 2-chloro-3-isopropyloxirane-2-carboxylate

DownStream

  • Ethyl Isobutyl Ketone
  • 3-Hexanol, 5-methyl-
  • 5-Methyl-2-hexanol
  • 5-Methyl-2-hexanone
  • 3,3-dimethyl-4-oxopentanoic acid

Customs

[ HS Code ]: 2914190090

[ Summary ]:
2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Related Compounds

  • 4-Amino-5-methyl-2,3-hexanedione
  • 5-methyl-2,3-di(propan-2-yloxy)benzene-1,4-diol
  • 5-methyl-2,3-bis(3-methylbutoxy)benzene-1,4-diol
  • 5-methyl-2-(3-oxobutyl)-2H-tetrazole 4-oxide
  • 5-methyl-2-(3-nitropyridin-2-yl)sulfanyl-3H-pyrimidin-4-one
  • 5-methyl-2,3-dihydrofuro[2,3-a]carbazol-2-one
  • [2-(1,1,2,2-Tetrafluoroethyl)cyclopropyl]methanamine
  • 5-(2-Chloro-6-hydroxyphenyl)-1,2-oxazole-4-carboxylic acid
  • 2-[2-(Difluoromethoxy)-3-methylphenyl]piperidine
  • 1-(4-Chloro-2-methylphenyl)-2-fluoroethan-1-ol
  • 4,4-Difluoro-1-(2-fluoro-5-nitrophenyl)cyclohexan-1-amine
  • 1,1,1-Trifluoro-5,5-dimethoxy-3-methylpentane-2,4-dione
  • [2,2-Difluoro-1-(5-nitropyridin-2-yl)cyclopropyl]methanamine
  • N-methyl-N-{2-oxo-2-[4-(thiophen-3-yl)piperidin-1-yl]ethyl}prop-2-enamide
  • 2-(Pyridin-2-yl)ethane-1-sulfonyl fluoride
  • 3-(4-Methoxypyridin-2-yl)-2,2-dimethylpropan-1-amine
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