EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

tris(methyl thio) methane
methane, tris(methylthio)-

Sponsors

Name:tris(methylsulfanyl)methane
CAS Number: 5418-86-0Picture of molecule3D/inchi
Nikkaji Web:J100.186H
Beilstein Number:1733825
MDL:MFCD00009851
XlogP3-AA:2.40 (est)
Molecular Weight:154.31870000
Formula:C4 H10 S3
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.15000 to 1.16000 @ 20.00 °C.
Pounds per Gallon - (est).: 9.580 to 9.664
Refractive Index:1.57300 to 1.58300 @ 20.00 °C.
Melting Point: 16.00 °C. @ 760.00 mm Hg
Boiling Point: 102.00 °C. @ 15.00 mm Hg
Boiling Point: 70.00 to 72.00 °C. @ 2.00 mm Hg
Vapor Pressure:0.153000 mm/Hg @ 25.00 °C. (est)
Flash Point: 204.00 °F. TCC ( 95.56 °C. )
logP (o/w): 1.865 (est)
Soluble in:
 water, 2060 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: earthy
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
earthy mushroom musty truffle
Odor Description:at 0.10 % in propylene glycol. earthy mushroom musty truffle
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
Tris(methylthio)methane
Sigma-Aldrich: Aldrich
For experimental / research use only.
Tris(methylthio)methane 98%
Taytonn
tris(Methylthiomethane)
Odor: Earthy, Mushroom, Musty, Truffle
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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
 
Safety in Use Information:
Category: flavoring agents
Recommendation for tris(methyl thio) methane usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :138491
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
tris(methylsulfanyl)methane
Chemidplus:0005418860
 
References:
 tris(methylsulfanyl)methane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):138491
Pubchem (sid):135094345
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
Export Tariff Code:2930.90.5050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
(E)-
benzyl tiglate
FL/FR
creamy
butyl lactate
FL/FR
earthy
benzyl tiglate
FL/FR
dibenzyl ether
FL/FR
geosmin
FL/FR
1-
nonen-3-ol
FL/FR
3-
octanol
FL/FR
1-
octen-3-ol
FL/FR
1-
octen-3-one
FL/FR
fatty
(E)-2-
decenal
FL/FR
fermented
butyl laevo-lactate
FL/FR
floral
3-
decanol
FL/FR
2-
methyl-4-phenyl butanal
FL/FR
nonyl octanoate
FL/FR
octyl acetate
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
fruity
octyl propionate
FL/FR
fungal
1-
decen-3-ol
FL/FR
methyl 2-furoate
FL/FR
green
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
herbal
3-
octanone
FL/FR
honey
phenethyl furoate
FL/FR
mossy
oakmoss absolute
FL/FR
mushroom
3-
octen-2-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
nutty
2,3,5-
trimethyl pyrazine
FL/FR
spicy
4-
carvomenthenol
FL/FR
ginger oleoresin
FL/FR
waxy
methyl laurate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
benzyl tiglate
FL/FR
3-
decanol
FL/FR
furfural diethyl acetal
FL
geosmin
FL/FR
2-
methyl-4-phenyl butanal
FL/FR
nonyl octanoate
FL/FR
1,5-
octadien-3-ol
FL
(E)-2-
penten-1-ol
FL
2-
pentyl-1-buten-3-one
FL
phenethyl furoate
FL/FR
balsamic
balsamic
(E)-
benzyl tiglate
FL/FR
buttery
butyl laevo-lactate
FL/FR
caramellic
methyl 2-furoate
FL/FR
coffee
difurfuryl ether
FL
cooling
4-
carvomenthenol
FL/FR
creamy
acetyl ethyl carbinol
FL
dairy
butyl lactate
FL/FR
earthy
1-
decen-3-ol
FL/FR
1-
nonen-3-ol
FL/FR
1,8-
octane dithiol
FL
1-
octen-3-one
FL/FR
2-
thienyl disulfide
FL
estery
octyl propionate
FL/FR
fatty
dimethyl sulfoxide
FL
fermented
methyl thio isovalerate
FL
fruity
dibenzyl ether
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
green
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
oakmoss absolute
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
mushroom
3-
octanone
FL/FR
3-
octen-2-ol
FL/FR
1-
octen-3-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
musty
3-
octanol
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
spicy
ginger oleoresin
FL/FR
sulfurous
1-(
methyl thio)-2-butanone
FL
2-
naphthyl mercaptan
FL
2,4,6-
trithiaheptane 10% in triacetin
FL
vegetable
2-
octen-4-one
FL/FR
waxy
(E)-2-
decenal
FL/FR
methyl laurate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
octyl 2-furoate
FL
octyl acetate
FL/FR
 
Potential Uses:
FRearth
FLmushroom
 truffle
 
Occurrence (nature, food, other):note
 truffle
Search Picture
 
Synonyms:
orthoformic acid, trithio-, trimethyl ester
 methane, tris(methylthio)-
3-methyl thio-2,4-dithiapentane
tris(methylsulfanyl)methane
3-methylthio-2,4-dithiapentane
tris(methylthio)methane
 trimethyl trithioorthoformate
 
 
Notes:
None found
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