(Z)-buchu mercaptan
(Z)-8-mercapto-para-menthan-3-one
 
Notes:
None found
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CAS Number: 33284-96-7Picture of molecule3D/inchi
Nikkaji Web: J110.051C
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
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
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:
 alcohol
 water, 218.4 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
 natural  passion fruit  
Odor Description:
at 0.10 % in propylene glycol. 
natural passion fruit
 
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
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6951713
National Institute of Allergy and Infectious Diseases: Data
 (2S,5S)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
Chemidplus: 0033284967
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References:
 (2S,5S)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6951713
Pubchem (sid): 43559603
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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
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
citrus
(R)-mercapto-3-methyl hexan-1-ol 
floral
 jasmin cyclopentanolFR
fruity
 ethyl 3-methyl valerateFL/FR
3-mercaptohexyl acetateFL/FR
 passiflora lauriflora fruit extractCS
 passion fruit essenceFL/FR
 passion fruit fragranceFR
 passion fruit specialtyFR
 tropical dienoate (Bedoukian)FL/FR
 tropical specialtyFR
green
(Z)-3-hepten-1-yl acetateFL/FR
herbal
6-acetoxydihydrotheaspiraneFL/FR
 buchu oximeFR
 chamomile isobutyrateFR
O-methyl S-1-methoxyhexan-3-yl carbonothioateFL/FR
3-thiohexanolFL/FR
tropical
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
 ethyl 3-methyl valerateFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
(R)-mercapto-3-methyl hexan-1-ol 
S-prenyl thioisobutyrateFL
S-prenyl thioisovalerateFL
fruity
3-mercaptohexyl hexanoateFL
 passion fruit essenceFL/FR
 tropical dienoate (Bedoukian)FL/FR
roasted
O-methyl S-1-methoxyhexan-3-yl carbonothioateFL/FR
sulfurous
3-mercapto-2-methyl pentanalFL
3-thiohexanolFL/FR
tropical
3-mercaptohexyl acetateFL/FR
3-mercaptohexyl butyrateFL
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 agathosma betulina leaf oil @ 2.33%
Data  GC  Search Trop  Picture
 buchu leaf oil
Search Trop  Picture
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Synonyms:
(2S,5S)-buchu mercaptan
(Z)-3-oxo-para-menthan-8-thiol
(Z)-8-mercapto-para-menthan-3-one
(2S,5S)-5-methyl-2-(2-sulfanyl-2-propanyl)cyclohexanone
(2S,5S)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
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