5-METHYL-3-HEXEN-2-ONE

Modify Date: 2024-01-04 14:08:05

5-METHYL-3-HEXEN-2-ONE Structure
5-METHYL-3-HEXEN-2-ONE structure
Common Name 5-METHYL-3-HEXEN-2-ONE
CAS Number 5166-53-0 Molecular Weight 112.17000
Density 0.85 g/mL at 25 °C(lit.) Boiling Point 157°C
Molecular Formula C7H12O Melting Point N/A
MSDS Chinese USA Flash Point 118 °F
Symbol GHS02 GHS06
GHS02, GHS06
Signal Word Danger

 Names

Name 5-methyl-3-hexen-2-one
Synonym More Synonyms

 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.)

 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
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%

 Articles2

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J. Agric. Food Chem. 49(11) , 5445-9, (2001)

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 Synonyms

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
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