5-METHYL-3-HEXEN-2-ONE

Names

[ Name ]:
5-METHYL-3-HEXEN-2-ONE

[Synonym ]:
2-methyl-3-hexen-5-one
trans-5-methyl-3-hexen-2-one
5-methyl-3-hexen-2-on
2-Oxo-5-methylhex-3-ene
MFCD00012166
5-METHYLHEX-3-EN-2-ONE
3-HEXAN-2-ONE,5-METHYL
EINECS 225-950-5
5-Methyl-3-hexene-2-one
trans-5-methyl-3-hexen-1-one
5-Methyl-2-oxohex-3-ene
3-Hexen-2-one,5-methyl
5-methyl-trans-3-hexen-2-one
trans-5-methylhex-3-en-2-one
3-Hexen-2-one,5-Me
5-Methyl-3-hexen-2-one
FEMA 3409
5-methyl-hexene-2-one

Chemical & Physical Properties

[ Density]:
0.85 g/mL at 25 °C(lit.)

[ Boiling Point ]:
157°C

[ Molecular Formula ]:
C₇H₁₂O

[ Molecular Weight ]:
112.17000

[ Flash Point ]:
118 °F

[ Exact Mass ]:
112.08900

[ PSA ]:
17.07000

[ LogP ]:
1.78760

[ Index of Refraction ]:
n20/D 1.44(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MP8750000

CHEMICAL NAME :: 3-Hexen-2-one, 5-methyl-

CAS REGISTRY NUMBER :: 5166-53-0

BEILSTEIN REFERENCE NO. :: 1720101

LAST UPDATED :: 199710

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C7-H12-O

MOLECULAR WEIGHT :: 112.19

WISWESSER LINE NOTATION :: 1V1U1Y2&1

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 :: 1680 uL/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 :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 ppm/4H

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 :: 450 uL/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, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H302 + H332-H311

[ Precautionary Statements ]:
P280-P312

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
10-20/21/22

[ Safety Phrases ]:
S16-S27-S36/37/39-S45

[ RIDADR ]:
UN 1992 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
MP8750000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2914190090

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%

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