p-Mentha-8-thiol-3-one
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p-Mentha-8-thiol-3-one
structure -
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CAS No:
38462-22-5
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Formula:
C10H18OS
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Chemical Name:
p-Mentha-8-thiol-3-one
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Synonyms:
Cyclohexanone,2-(1-mercapto-1-methylethyl)-5-methyl-;2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone;Mangone;p-Mentha-8-thiol-3-one;5-Methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one;2-(2-Mercaptopropan-2-yl)-5-methylcyclohexan-1-one;2-(2-Mercaptopropan-2-yl)-5-methylcyclohexanone;8-Mercaptomenthone
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CAS No:
Description
p-Mentha-8-thiol-3-one has a black currant flavor. clear yellow to dark yellow liquid p-Mentha-8-thiol-3-one is an
essential odoriferous constituent of buchu leaf oil. The commercial product is
synthesized from pulegone and is a liquid mixture of cis–trans-isomers with a
typical blackcurrant odor. 8-Mercapto-p-menthan-3-one is prepared by reacting
pulegone with hydrogen sulfide in the presence of a base (e.g., triethylamine).
This powerful fragrance and flavor substance is used in perfume
colourless to yellow brown liquid
8-Mercapto-p-menthan-3-one is a p-menthane monoterpenoid.
Characteristics
18.1
2.28
Clear yellow to dark yellow Liquid
1.0±0.1 g/cm3
120 °C @ Press: 10 Torr
227 °F
1.490
218.4 mg/L @ 25 °C (est)|insoluble in water soluble in alcohol
Safety Information
III
UN 2810 6.1/PG 3
2
22-50
60-61
Xn,N
P273-P301 + P310
H301-H400
|Warning|H317 (97.01%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 1547 companies from 9 notifications to the ECHA C&L Inventory.
p-Mentha-8-thiol-3-one Use and Manufacturing
It is obtained by the reaction of pulegone or isopulegone with excess hydrogen sulfide and potassium hydroxide ethanol solution.
GB 2760-1996 stipulates the permitted food spices. Mainly used in grape, mint, raspberry, tropical fruit, peach and other flavors.
Air care products
< 25,000 lb
Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-: ACTIVE
EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:186.32
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:186.10783637
Monoisotopic Mass:186.10783637
Topological Polar Surface Area:18.1
Heavy Atom Count:12
Complexity:186
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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