5-Methyl-2,3-hexanedione
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
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
Precursor & DownStream
Precursor
DownStream
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%