METHYL HEPTINE CARBONATE - CAS 111-12-6
Category:
Flavor & Fragrance
Product Name:
METHYL HEPTINE CARBONATE
Synonyms:
2-Octynoic acid, methyl ester, Folione, Methyl 2-octynoate, METHYL HEPTINE CARBONATE, MHC
CAS Number:
111-12-6
Molecular Weight:
154.21
Molecular Formula:
C9H14O2
COA:
Inquire
MSDS:
Inquire
Olfactive Family:
Green | Violet
FEMA:
2729
Odor description:
A green, violet, vegetable, hay-like odor.
Taste description:
Strong, sweet melon character.
Chemical Structure
CAS 111-12-6 METHYL HEPTINE CARBONATE

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Reference Reading


1.Active sensitization and contact allergy to methyl 2-octynoate.
Heisterberg MV1, Vigan M, Johansen JD. Contact Dermatitis. 2010 Feb;62(2):97-101. doi: 10.1111/j.1600-0536.2009.01664.x.
BACKGROUND: Methyl 2-octynoate is a synthetic fragrance which was first described to have sensitizing properties in 1935. It is one of the 26 fragrances to be labelled on the ingredient list according to current European cosmetics regulation.
2.Synthesis of seven-membered lactones via nickel- and zinc-catalyzed highly regio- and stereoselective cyclization of 2-iodobenzyl alcohols with propiolates.
Rayabarapu DK1, Cheng CH. J Am Chem Soc. 2002 May 22;124(20):5630-1.
A new class of substituted seven-membered lactones 3 were conveniently synthesized via cyclization of o-iodobenzyl alcohol 1 (o-IC(6)H(4)CH(2)OH) with various propiolates 2 (RC triple bond CCOOMe) in the presence of Ni(dppe)Br(2) and Zn powder in acetonitrile at 80 degrees C. The catalytic reaction is highly regio- and stereoselective affording seven-membered lactones in moderate to good yields. This methodology can be successfully extended to various substituted o-iodobenzyl alcohols. An intermediate 7 was obtained from the reaction of 1a with methyl 2-octynoate (2a) in the presence of Ni(dppe)Br(2) and Zn at room temperature. A mechanism involving an unusual E/Z isomerization of the carbon-carbon double bond of 7 prior to lactone formation is proposed to account for the catalytic reaction.
3.Determination of suspected allergens in cosmetic products by headspace-programmed temperature vaporization-fast gas chromatography-quadrupole mass spectrometry.
del Nogal Sánchez M1, Pérez-Pavón JL, Moreno Cordero B. Anal Bioanal Chem. 2010 Jul;397(6):2579-91. doi: 10.1007/s00216-010-3803-8. Epub 2010 May 21.
In the present work, a strategy for the qualitative and quantitative analysis of 24 volatile compounds listed as suspected allergens in cosmetics by the European Union is reported. The list includes benzyl alcohol, limonene, linalool, methyl 2-octynoate, beta-citronellol, geraniol, citral (two isomers), 7-hydroxycitronellal, anisyl alcohol, cinnamal, cinnamyl alcohol, eugenol, isoeugenol (two isomers), coumarin, alpha-isomethyl ionone, lilial, alpha-amylcinnamal, lyral, alpha-amylcinnamyl alcohol, farnesol (three isomers), alpha-hexyl cinnamal, benzyl cinnamate, benzyl benzoate, and benzyl salicylate. The applicability of a headspace (HS) autosampler in combination with a gas chromatograph (GC) equipped with a programmable temperature vaporizer (PTV) and a quadrupole mass spectrometry (qMS) detector is explored. By using a headspace sampler, sample preparation is reduced to introducing the sample into the vial. This reduces the analysis time and the experimental errors associated with this step of the analytical process.