5-METHYL-3-HEXEN-2-ONE
Names
[ CAS No. ]:
5166-53-0
[ 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
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%
Articles
Chem. Commun. (Camb.) (7) , 799-801, (2006)
The use of an equimolar amount of pyrrolidine and HClO4 (30 mol%) was found to be effective in promoting the conjugate addition of indoles to (E)-alpha,beta-unsaturated ketones, affording the correspo...
Combinatorial synthesis and sensorial properties of polyfunctional thiols.J. Agric. Food Chem. 49(11) , 5445-9, (2001)
Over the past few years, polyfunctional thiols present as trace components have been found to play a major role in many food flavors, due to their exceptionally low odor thresholds. Unfortunately, the...