ChemicalBook > CAS DataBase List > 6-Methyl-5-hepten-2-one

6-Methyl-5-hepten-2-one

Product Name
6-Methyl-5-hepten-2-one
CAS No.
110-93-0
Chemical Name
6-Methyl-5-hepten-2-one
Synonyms
METHYL HEPTENONE;sulcatone;6-METHYL-5-HEPTENE-2-ONE;FEMA 2707;Methyl hepten;methyl-5-hepten-2-one;5-Hepten-2-one,6-methyl-;6-methyl-5-hepten-2-on;6-Methyl-5-henten-2-one;2-METHYL-2-HEPTEN-6-ONE
CBNumber
CB4729000
Molecular Formula
C8H14O
Formula Weight
126.2
MOL File
110-93-0.mol
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6-Methyl-5-hepten-2-one Property

Melting point:
-67.1 °C
Boiling point:
73 °C18 mm Hg(lit.)
Density 
0.855 g/mL at 25 °C(lit.)
vapor pressure 
1.121hPa at 20℃
FEMA 
2707 | 6-METHYL-5-HEPTEN-2-ONE
refractive index 
n20/D 1.439(lit.)
Flash point:
123 °F
storage temp. 
Sealed in dry,2-8°C
solubility 
Soluble in methanol and chloroform.
form 
Liquid
Specific Gravity
0.855
color 
Colorless to Light yellow
Odor
at 10.00 % in dipropylene glycol. citrus green musty lemongrass apple
PH
6.6 (3g/l, H2O, 25℃)
explosive limit
1.1-7.3%(V)
Odor Type
citrus
Water Solubility 
insoluble
JECFA Number
1120
BRN 
1741705
LogP
2.07 at 25℃
CAS DataBase Reference
110-93-0(CAS DataBase Reference)
NIST Chemistry Reference
5-Hepten-2-one, 6-methyl-(110-93-0)
EPA Substance Registry System
6-Methyl-5-hepten-2-one (110-93-0)
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Safety

Risk Statements 
10-36/37/38
Safety Statements 
16-24/25
RIDADR 
UN 1224 3/PG 3
WGK Germany 
1
RTECS 
MJ9700000
TSCA 
Yes
HazardClass 
3
PackingGroup 
III
HS Code 
29141990
Toxicity
The acute oral LD50 in rats was reported as 3.5 g/kg (B?r & Griepentrog, 1967) and as 4T g/kg (3.33-5.04 g/kg) (Keating, 1972). The acute dermal LD50 exceeded 5 g/kg (Keating, 1972).
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H226Flammable liquid and vapour

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P242Use only non-sparking tools.

P243Take precautionary measures against static discharge.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W270733
Product name
6-Methyl-5-hepten-2-one
Purity
natural, ≥98%, FCC
Packaging
25g
Price
$110
Updated
2024/03/01
Sigma-Aldrich
Product number
W270733
Product name
6-Methyl-5-hepten-2-one
Purity
natural, ≥98%, FCC
Packaging
100g
Price
$272
Updated
2024/03/01
Sigma-Aldrich
Product number
W270733
Product name
6-Methyl-5-hepten-2-one
Purity
natural, ≥98%, FCC
Packaging
1kg
Price
$1630
Updated
2024/03/01
Sigma-Aldrich
Product number
W270709
Product name
6-Methyl-5-hepten-2-one
Purity
≥98%, FCC, FG
Packaging
1kg
Price
$121
Updated
2024/03/01
Sigma-Aldrich
Product number
W270709
Product name
6-Methyl-5-hepten-2-one
Purity
≥98%, FCC, FG
Packaging
8kg
Price
$448
Updated
2024/03/01
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6-Methyl-5-hepten-2-one Chemical Properties,Usage,Production

Description

6-Methyl-5-hepten-2-one has a strong, fatty, green, citrus-like odor, and a bittersweet taste reminiscent of pear. May be prepared from oil of lemongrass or from citral by refluxing for 12 hours in aqueous solution containing K2C 03, and subsequent distillation and vacuum fractionation; from acetoacetic ester and methylbuten-3-ol-2 with aluminum alcoholate in Carroll’s reaction followed by pyrolysis of the ester.

Chemical Properties

6-Methyl-5-hepten-2-one has a strong, fatty, green, citrus-like odor and bittersweet taste reminiscent of pear.

Chemical Properties

CLEAR SLIGHTLY YELLOW LIQUID

Chemical Properties

6-Methyl-5-hepten-2-one is an important intermediate in the synthesis of terpenoids. Its odor properties are not impressive. It occurs in nature as a degradation product of terpenes. (Z)- and (E)-Tagetone, [3588-18-9], [6752-80-3], are major components of tagetes oil. Solanone [1937-54-8] and pseudoionone [141-10-6] are acyclicC13 ketoneswith a terpenoid skeleton. Solanone is one of the flavor-determining constituents of tobacco, and pseudoionone is an intermediate in the synthesis of ionones.

Occurrence

Originally identified in lemongrass; it has been reported found in the essential oils of palmarosa, lemon, citronella, vervain, geranium, Ocimum canum, Artemisia scoparia, Urtica dioica and others. Also reported found in apple, apricot, sweet and sour cherry, orange juice, citrus peel oils, bilberry, lingonberry, cranberry, guava, grapes, melon, peach, pear, raspberry, strawberry, blackberry, carrot, celery, tomato, potato, clove bud and leaf, ginger, peppermint oil, thymus, Gruyere cheese, butter, beef, hop oil, beer, cognac, cider, white wine, cocoa, tea, peanut oil, avocado, Arctic bramble, cloudberry, olive, passion fruit, plumcot, rose apple, marjoram, starfruit, mango, fig, rice, rice bran, quince, origanum, calamus, buckwheat, corn oil, wort, dried bonito, elderberry, cherimoya, kiwifruit, mountain papaya, endive, lemon balm, clary sage, nectarine, clam, Cape gooseberry, maté, German chamomile oil and mastic gum leaf oil, lime oil and apple brandy

Uses

6-Methyl-hepten-2-one is used in the synthesis of thyrsiferyl 23-Acetate which acts as an anti-leukemic inducer of apoptosis.

Uses

Organic synthesis, inexpensive perfumes, fla-voring.

Definition

ChEBI: A heptenone that is hept-5-en-2-one substituted by a methyl group at position 6. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil.

Preparation

From oil of lemongrass or from citral by refluxing for 12 hours in aqueous solution containing K2CO3, and subsequent distillation and vacuum fractionation; from acetoacetic ester and methyl-buten-3-ol-2 with aluminum alcoholate in Carroll’s reaction followed by pyrolysis of the ester

Aroma threshold values

Detection: 50 ppb

Taste threshold values

Taste characteristics at 10 ppm: green, vegetative, musty, apple, banana and green bean-like.

Synthesis Reference(s)

Tetrahedron Letters, 28, p. 4893, 1987 DOI: 10.1016/S0040-4039(00)96654-1
Synthesis, p. 796, 1981 DOI: 10.1055/s-1981-29599

General Description

6-Methyl-5-hepten-2-one is one of the main flavor volatile of tomatoes.

Flammability and Explosibility

Flammable

Safety Profile

Moderately toxic by ingestion. A skin irritant. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke and irritating fumes.

6-Methyl-5-hepten-2-one Preparation Products And Raw materials

Raw materials

Isoprene

Preparation Products

6-AMINO-2-METHYL-2-HEPTANOL Linalool Citral GERANIC ACID
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View Lastest Price from 6-Methyl-5-hepten-2-one manufacturers

Jinan Finer Chemical Co., Ltd
Product
6-Methyl-5-hepten-2-one 110-93-0
Price
US $200.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
2000mt
Release date
2024-03-25
Hebei Zhuanglai Chemical Trading Co Ltd
Product
6-Methyl-5-hepten-2-one 110-93-0
Price
US $60.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 tons
Release date
2024-11-18
Hebei Weibang Biotechnology Co., Ltd
Product
6-Methyl-5-hepten-2-one 110-93-0
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-11-26

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  • 6-Methyl-5-hepten-2-one, 97.5% 100ML
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  • sulcatone
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  • METHYL HEPTENONE
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  • 6-METHYL-5-HEPTENE-2-ONE
  • 6-METHYL-HEPT-5-EN-2-ONE
  • 6-methylhept-5-en-one
  • 6-METHYL-5-HEPTEN-2-ONE 98+% NATURAL &
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  • JACS-110-93-0
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  • 110-93-0
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