ChemicalBook--->CAS DataBase List--->38462-22-5

38462-22-5

38462-22-5 Structure

38462-22-5 Structure
IdentificationBack Directory
[Name]

P-MENTHA-8-THIOL-3-ONE
[CAS]

38462-22-5
[Synonyms]

8-thiol
FEMA 3177
THIOMENTHONE
RIBES MERCAPTAN
8-mercaptomethone
8-MERCAPTOMENTHONE
PULEGONE MERCAPTAN
PUGELONE MERRCAPTAN
P-MENTHA-8-THIOL-3-ONE
P-MENTHAN-3-ONE-8-THIOL
PARA-MENTHA-8-THIOL-3-ONE
8-MERCAPTO-P-MENTHAN-3-ONE
8-Mercapto-p-menthane-3-one
p-Mentha-8-thiol-3-one,tech.
P-MENTHA-8-THIOL-3-ONE 10% IN P.G.
P-MENTHA-8-THIOL-3-ONE PURE, NATURAL
P-MENTHA-8-THIOL-3-ONE 1% PG, NATURAL
p-Mentha-8-thiol-3-one, cis + trans,97%
P-MENTHA-8-THIOL-3-ONE, CIS + TRANS, 97%
P-MENTHA-8-THIOL-3-ONE 94+% MIXTURE O&
P-MENTHA-8-THIOL-3-ONE 10% IN P.G. NATURAL
P-MENTHA-8-THIOL-3-ONE, CIS + TRANS, TECH. 85%
2-(2-Mercaptopropan-2-yl)-5-Methylcyclohexanone
8-Mercaptomenthone, tech., mixture of isomers, 80%
8-MERCAPTOMENTHONE, TECH., 80%, MIXTURE OF ISOMERS
2-(1-MERCAPTO-1-METHYLETHYL)-5-METHYLCYCLOHEXANONE
2-(1-mercapto-1-methylethyl)-5-methyl-cyclohexanon
8-Mercaptomenthone, 80%, tech., mixture of isomers
5-Methyl-2-(1-methyl-1-mercaptoethyl)cyclohexanone
5β-Methyl-2β-(1-mercapto-1-methylethyl)cyclohexanone
Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-
2-(1-mercapto-1-methylethyl)-5-methylcyclohexan-1-one
8-MercaptoMenthone, tech., Mixture of isoMers, 80% 5GR
(2R,5R)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone
(2S,5R)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone
2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone, 8-Mercaptomenthone
p-Mentha-8-thiol-3-one 2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone
[EINECS(EC#)]

253-953-1
[Molecular Formula]

C10H18OS
[MDL Number]

MFCD00012393
[MOL File]

38462-22-5.mol
[Molecular Weight]

186.31
Chemical PropertiesBack Directory
[Appearance]

clear yellow to dark yellow liquid
[Boiling point ]

56 °C0.1 mm Hg(lit.)
[density ]

1 g/mL at 25 °C(lit.)
[FEMA ]

3177
[refractive index ]

n20/D 1.495(lit.)
[Fp ]

227 °F
[storage temp. ]

2-8°C, protect from light
[form ]

Liquid
[pka]

10.56±0.10(Predicted)
[color ]

Clear yellow to dark yellow
[Odor]

at 1.00 % in dipropylene glycol. sulfury minty green fruity berry buchu fruity tropical peach
[biological source]

synthetic
[Odor Type]

sulfurous
[Optical Rotation]

[α]20/D 21°, neat
[JECFA Number]

561
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3
[InChIKey]

RVOKNSFEAOYULQ-UHFFFAOYSA-N
[SMILES]

CC1CCC(C(=O)C1)C(C)(C)S
[LogP]

2.624 (est)
[EPA Substance Registry System]

Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl- (38462-22-5)
Hazard InformationBack Directory
[Chemical Properties]

clear yellow to dark yellow liquid
[Description]

P-Menthα-8-thiol-3-one has a black-currant flavor. May be prepared by reaction of pulegone or isopulegone with hydrogen sulfide excess and ethanolic potassium hydroxide.
[Occurrence]

Reported found in buchu oil.
[Uses]

p-Mentha-8-thiol-3-one is a flavour in food.
[Definition]

ChEBI: 8-Mercapto-p-menthan-3-one is a p-menthane monoterpenoid.
[Preparation]

By reaction of pulegone or isopulegone with hydrogen sulfide excess and ethanolic potassium hydroxide.
[Aroma threshold values]

Aroma characteristics at 0.001%: sweet, pungent, minty and piney, buchulike and catty, sulfurous, metal lic, thiomenthome-like, blackberry, blackcurrant and grape fruity, with an earthy background.
[Taste threshold values]

Taste characteristics at 5 ppm: minty, fruity, buchu-like, with a cooling, green tropical nuance, winey, sul furous and catty, metallic, slightly durnianlike, grape, blackcurrant, blackberry with a somewhat creamy mouthfeel.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317
[Precautionary statements ]

P280-P302+P352
[Hazard Codes ]

Xn,N
[Risk Statements ]

22-50
[Safety Statements ]

60-61
[RIDADR ]

UN 2810 6.1/PG 3
[WGK Germany ]

2
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen Sulfide-->(+)-PULEGONE
Spectrum DetailBack Directory
[Spectrum Detail]

p-Mentha-8-thiol-3-one(38462-22-5)1HNMR
p-Mentha-8-thiol-3-one(38462-22-5)Raman
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