6-Methyl-5-hepten-2-one

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.
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 Yanxi Chemical Co., Ltd.

Product: 6-Methyl-5-hepten-2-one 110-93-0
Price: US $1.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 20tons
Release date: 2023-09-06

Hebei Guanlang Biotechnology Co., Ltd.

Product: 6-Methyl-5-hepten-2-one 110-93-0
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 500000kg
Release date: 2022-10-12

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