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2-Methyl-3-hexanone

Names

[ CAS No. ]:
7379-12-6

[ Name ]:
2-Methyl-3-hexanone

[Synonym ]:
2-methylhexan-3-one
MFCD00009399
EINECS 230-940-9

Chemical & Physical Properties

[ Density]:
0.825 g/mL at 25 °C(lit.)

[ Boiling Point ]:
131-132 °C(lit.)

[ Molecular Formula ]:
C7H14O

[ Molecular Weight ]:
114.18500

[ Flash Point ]:
75 °F

[ Exact Mass ]:
114.10400

[ PSA ]:
17.07000

[ LogP ]:
2.01160

[ Index of Refraction ]:
n20/D 1.406(lit.)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MP3900000
CHEMICAL NAME :
3-Hexanone, 2-methyl-
CAS REGISTRY NUMBER :
7379-12-6
BEILSTEIN REFERENCE NO. :
1699041
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C7-H14-O
MOLECULAR WEIGHT :
114.21
WISWESSER LINE NOTATION :
3VY1&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 :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,287,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,287,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
16 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

Safety Information

[ Symbol ]:

GHS02

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Risk Phrases ]:
R10

[ Safety Phrases ]:
S16-S29-S33

[ RIDADR ]:
UN 1224 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
MP3900000

[ Packaging Group ]:
III

[ Hazard Class ]:
3.2

[ HS Code ]:
2914190090

Synthetic Route

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%

Articles

Equilibrium 2H/1H fractionations in organic molecules: I. Experimental calibration of ab initio calculations. Wang Y, et al.

Geochim. Cosmochim. Acta 73(23) , 7060-7075, (2009)


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