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3-Methyl-2-cyclohexen-1-one

CAS No.1193-18-6
Chemical Name:3-Methyl-2-cyclohexen-1-one
CBNumber:CB8340010
Molecular Formula:C7H10O
Formula Weight:110.15
MOL File:1193-18-6.mol

3-Methyl-2-cyclohexen-1-one Property

Melting point -21°C
Boiling point 199-200 °C(lit.)
Density 0.971 g/mL at 25 °C(lit.)
FEMA 3360 | 3-METHYL-2-CYCLOHEXEN-1-ONE
refractive index n20/D 1.494(lit.)
Flash point 155 °F
storage temp. Inert atmosphere,Room Temperature
form Liquid
Specific Gravity 0.971
color Clear very slightly yellow to brown
Odor at 1.00 % in dipropylene glycol. nut caramel phenolic cherry
Odor Type nutty
biological source synthetic
Water Solubility insoluble
JECFA Number 1107
BRN 1560601
LogP 1.04
CAS DataBase Reference 1193-18-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 3-METHYL-2-CYCLOHEXEN-1-ONE
EWG's Food Scores 1
FDA UNII 786Y352V9X
NIST Chemistry Reference 2-Cyclohexen-1-one, 3-methyl-(1193-18-6)
EPA Substance Registry System 3-Methyl-2-cyclohexen-1-one (1193-18-6)
UNSPSC Code 12352100
NACRES NA.22

Safety

Hazard Codes :Xn
Risk Statements :22-36-20/21/22
Safety Statements :36/37/39-26-24/25
WGK Germany :3
RTECS :GW7340000
F :10
TSCA :Yes
HS Code :29142990

NFPA 704:

	2
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H227-H302
Precautionary statements P210e-P280a-P301+P312a-P501a-P301+P312+P330-P210-P264-P270-P280-P370+P378-P403+P235-P501

3-Methyl-2-cyclohexen-1-one Price More Price(8)

Brand: Sigma-Aldrich(India)
Product number: M39105
Product name : 3-Methyl-2-cyclohexenone
Purity: 98%, Stabilized
Packaging: 10G
Price: ₹4308.35
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: M39105
Product name : 3-Methyl-2-cyclohexenone
Purity: 98%, Stabilized
Packaging: 50G
Price: ₹14938.5
Updated: 2022/06/14
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Brand: ALFA India
Product number: ALF-A15704-22
Product name : 3-Methyl-2-cyclohexen-1-one, 98%
Purity:
Packaging: 100g
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Brand: ALFA India
Product number: ALF-A15704-18
Product name : 3-Methyl-2-cyclohexen-1-one, 98%
Purity:
Packaging: 50g
Price: ₹14460
Updated: 2022/05/26
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Brand: ALFA India
Product number: ALF-A15704-14
Product name : 3-Methyl-2-cyclohexen-1-one, 98%
Purity:
Packaging: 25g
Price: ₹5421
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3-Methyl-2-cyclohexen-1-one Chemical Properties,Usage,Production

Description May be prepared by acid hydrolysis and decarboxylation of the corresponding 4-carbetoxy derivative; by oxidation of 1-methylcyclohex-l-ene with chromium trioxide in acetic acid; by cyclization of 3-carbetoxy-6-chlorohept-5-en-2-one with sulfuric acid.
Chemical Properties CLEAR VERY SLIGHTLY YELLOW TO BROWN LIQUID
Chemical Properties 3-Methyl-2-cyclohexen-1-one is a nonaromatic cyclic ketone with a medicinal, phenolic, mild cherry aroma
Occurrence Reported found in oil of Mentha pulegium, cocoa, coffee, filbert, sweet corn, dried bonito, katsuobushi, wild rice and clam. Also produced by some animals in vivo
Uses 3-Methyl-2-cyclohexen-1-one was used in the synthesis of 19-nor-1α, 25-dihydroxyvitamin D(3) derivatives. It was also used in sex pheromone of the Douglas-fir beetle. Used in nut flavor.
Uses 3-Methyl-2-cyclohexenone is an insect sex pheromone of the Douglas-fir beetle. It can be used as a starting material:
- In the total synthesis of (?)-ar-tenuifolene, a naturally occurring aromatic sesquiterpene.
- To synthesize an organic building block 2-trimethylsilyl-3-methyl-cyclohexenone.
- In the total synthesis of natural diterpenoids (+)-taiwaniaquinone H and (+)-dichroanone.
Definition ChEBI: 3-Methyl-2-cyclohexen-1-one is a cyclic olefin.
Preparation By acid hydrolysis and decarboxylation of the corresponding 4-carbetoxy derivative; by oxidation of 1-methylcyclohex-1-ene with chromium trioxide in acetic acid; by cyclization of 3-carbetoxy-6-chlorohept-5-en-2-one with sulfuric acid.
Aroma threshold values Aroma characteristics at 2.0%: sweet, nutty, phenolic, walnut, fruity, almond and benzoin
Taste threshold values Taste characteristics at 50 ppm: nutty, musty, phenolic and woody with grain-like nuances.
Synthesis Reference(s) Journal of the American Chemical Society, 101, p. 494, 1979 DOI: 10.1021/ja00496a044
The Journal of Organic Chemistry, 42, p. 1349, 1977 DOI: 10.1021/jo00428a017
Tetrahedron Letters, 17, p. 3, 1976