(2S,5R)-buchu mercaptan
(2S,5R)-8-thiomenthone
 
Notes:
None found
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CAS Number: 34349-25-2Picture of molecule3D/inchi
Nikkaji Web: J313.835F
XlogP3-AA: 2.30 (est)
Molecular Weight: 186.31766000
Formula: C10 H18 O S
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 273.09 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.006000 mmHg @ 25.00 °C. (est)
Flash Point: 227.00 °F. TCC ( 108.30 °C. ) (est)
logP (o/w): 2.624 (est)
Soluble in:
 water, 218.4 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: herbal
 
 buchu  
Odor Description:
at 0.10 % in propylene glycol. 
buchu oil
 
 
Flavor Type: herbal
 
 buchu  
Taste Description:
buchu
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
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Safety References:
EPI System: View
AIDS Citations: Search
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6951714
National Institute of Allergy and Infectious Diseases: Data
 (2S,5R)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
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References:
 (2S,5R)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6951714
Pubchem (sid): 43559604
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
citrus
citrus
 bergamot acetoacetateFR
fruity
 buchu wood specialtyFL/FR
(S)-3-thiohexanol 
herbal
 barosma betulina leaf oilFL/FR
 buchu leaf absoluteFL/FR
 buchu oximeFR
3-mercapto-4-heptanone 
5-mercapto-6-undecanol 
mentholic
(±)-isomenthoneFL/FR
laevo-menthyl acetateFL/FR
 menthyl acetate racemicFL/FR
minty
 agathosma crenulata leaf oilFL/FR
 diosphenolFL/FR
(±)-menthoneFL/FR
(-)-menthoneFL/FR
(R)-(+)-pulegoneFR
sulfurous
 buchu mercaptanFL/FR
 mango thiolFL/FR
 passiflora acetateFL/FR
 
For Flavor
 
No flavor group found for these
 buchu wood specialtyFL/FR
 menthyl acetate racemicFL/FR
3-mercapto-4-heptanone 
5-mercapto-6-undecanol 
(S)-3-thiohexanol 
herbal
 barosma betulina leaf oilFL/FR
 buchu leaf absoluteFL/FR
 buchu oil fractionsFL
minty
 agathosma crenulata leaf oilFL/FR
 diosphenolFL/FR
(±)-isomenthoneFL/FR
(-)-menthoneFL/FR
(±)-menthoneFL/FR
laevo-menthyl acetateFL/FR
sulfurous
 buchu leaf distillatesFL
 buchu mercaptanFL/FR
 mango thiolFL/FR
tropical
 passiflora acetateFL/FR
vegetable
 potato butyraldehydeFL
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
(2S,5R)-mentha-8-thiol-3-one
(2S,5R)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
(2S,5R)-8-thiomenthone
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