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

3-(methyl thio) hexanol
3-(methylthio)-1-hexanol

Sponsors

Name:3-methylsulfanylhexan-1-ol
CAS Number: 51755-66-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:257-380-8
FDA UNII:CFU4A74TQT
Nikkaji Web:J261.169D
MDL:MFCD00010674
CoE Number:11548
XlogP3-AA:1.90 (est)
Molecular Weight:148.26872000
Formula:C7 H16 O S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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
JECFA Food Flavoring:463 3-(methylthio)-1-hexanol
FLAVIS Number:12.063 (Old)
DG SANTE Food Flavourings:12.063 3-(methylthio)hexan-1-ol
FEMA Number:3438 3-(methylthio)-1-hexanol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-(METHYLTHIO)-1-HEXANOL
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96400 to 0.97400 @ 20.00 °C.
Pounds per Gallon - (est).: 8.031 to 8.114
Refractive Index:1.47400 to 1.48900 @ 20.00 °C.
Boiling Point: 140.00 to 145.00 °C. @ 760.00 mm Hg
Boiling Point: 61.00 to 62.00 °C. @ 10.00 mm Hg
Vapor Pressure:0.841000 mm/Hg @ 25.00 °C. (est)
Vapor Density:5.1 ( Air = 1 )
Flash Point: 226.00 °F. TCC ( 107.78 °C. )
logP (o/w): 1.790 (est)
Soluble in:
 alcohol
 water, 2087 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous metallic green leafy vegetable
Odor Description:at 0.10 % in propylene glycol. sulfurous metallic green leafy vegetable
sulfurous metallic pungent spicy green leafy wasabi vegetable earthy
Odor Description:at 1.00 %. Sulfurous, metallic and pungent with a slight spicy, green leafy, wasabi-like and vegetative note with and earthy nuance
Mosciano, Gerard P&F 25, No. 3, 25, (2000)
Flavor Type: metallic
metallic sulfurous green vegetable spicy
Taste Description: at 0.25 - 10.00 ppm. Metallic, sulfureous, with a green vegetative and slight spicy nuance
Mosciano, Gerard P&F 25, No. 3, 25, (2000)
Odor and/or flavor descriptions from others (if found).
Frutarom
3-(METHYLTHIO)-1-HEXANOL
Odor Description:Alliaceous, Green, Sulphurus, Vegetable
Suggested Uses: Apple, Coffee, Fragrances, Hard Fruits, Melon, Passion Fruit, Savoury, Tropical Fruits
Taste Description:green raw vegetable meat
Treatt
3-Methyl Thio Hexanol Halal, Kosher
Odor Description:green vegetable
Taste Description:green fruity
Primary use is in fruit flavours, and also finds use in vegetable and condiment flavours. Camps (1985) indicates that this material is closest in odor profile to 2-Methyl-4-propyl-1,3-oxathiane, FEMA# 3578; although perhaps more green), which is considered to be a key organoleptic constituent of yellow passionfruit. Normal use levels in finished consumer product: 0.02-6 ppm.
Natural Advantage
3-Methylthio-1-Hexanol Nat
Taste Description:Green raspberry, passion fruit and kiwi taste with lingering sweetness
Flavor Use: Tropical fruit flavors. Use Level: 0.05 - 6 ppm as consumed in finished goods.
 
Cosmetic Information:
None found
 
Suppliers:
Apiscent Labs
3 METHYLTHIO HEXANOL
Odor: Sulfurous onion, garlic green, vegetable
Axxence Aromatic
3-METHYLTHIO HEXANOL Natural, Kosher
Sustainability
Beijing Lys Chemicals
3-(Methylthio)-1-hexanol
BOC Sciences
For experimental / research use only.
3-(Methylthio)-1-hexanol
Charkit Chemical
METHYLTHIO)-1-HEXANOL, 3-( FEMA 3438
DeLong Chemicals America
3-(Methylthio)-1-hexanol, Kosher
Endeavour Specialty Chemicals
3-(Methylthio)hexanol 99% F&F
Speciality Chemical Product Groups
Ernesto Ventós
3-(METHYLTHIO)-1-HEXANOL
Odor: GREEN, VEGETABLE
Excellentia International
3-Methyl Thio Hexanol Natural
FCI SAS
3-METHYLTHIO HEXANOL
Odor: Green, metallic, sulfurous
Frutarom
3-(METHYLTHIO)-1-HEXANOL
Odor: Alliaceous, Green, Sulphurus, Vegetable
Use: Suggested Uses: Apple, Coffee, Fragrances, Hard Fruits, Melon, Passion Fruit, Savoury, Tropical Fruits
Indukern F&F
3-METHYLTHIO-1-HEXANOL
Odor: SULFUROUS, METALIC, SPICY, SPICY
Jinan Enlighten Chemical Technology(Wutong Aroma )
3-(Methylthio)-1-hexanol, Kosherk
Lluch Essence
3-METHYL THIO-1-HEXANOL
Lluch Essence
3-METHYLTHIO-1-HEXANOL NATURAL 98%
M&U International
3-METHYL SULFANYLHEXAN-1-OL
Natural Advantage
3-Methylthio-1-Hexanol Nat
Flavor: Green raspberry, passion fruit and kiwi taste with lingering sweetness
Flavor Use: Tropical fruit flavors. Use Level: 0.05 - 6 ppm as consumed in finished goods.
Penta International
3-METHYLTHIO-1-HEXANOL NATURAL 1% IN ETHYL ALCOHOL, Kosher
Penta International
3-METHYLTHIO-1-HEXANOL NATURAL, Kosher
Penta International
3-METHYLTHIO-1-HEXANOL, Kosher
Reincke & Fichtner
3-(Methylthio)-1-hexanol
Riverside Aromatics
3-METHYLTHIOHEXAN-1-OL, NATURAL
Robinson Brothers
3-(Methylthio)hexanol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
3-(Methylthio)-1-hexanol
Sigma-Aldrich
3-(Methylthio)-1-hexanol, ≥97%, FG
Odor: melon; green; vegetable; pepper; spicy; earthy
Certified Food Grade Products
Synerzine
3-(Methylthio)-1-hexanol
Taytonn
3-(Methylthio)-1-hexanol
Odor: Alliaceous, Green, Sulphurous, Vegetable
TCI AMERICA
For experimental / research use only.
3-(Methylthio)-1-hexanol >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
3-Methylthio hexanol
Tengzhou Xiang Yuan Aroma Chemicals
3-Methyl Thio Hexanol
Treatt
3-Methyl Thio Hexanol
Halal, Kosher
Odor: green vegetable
Flavor: green fruity
Primary use is in fruit flavours, and also finds use in vegetable and condiment flavours. Camps (1985) indicates that this material is closest in odor profile to 2-Methyl-4-propyl-1,3-oxathiane, FEMA# 3578; although perhaps more green), which is considered to be a key organoleptic constituent of yellow passionfruit. Normal use levels in finished consumer product: 0.02-6 ppm.
 
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: flavor and fragrance agents
Recommendation for 3-(methyl thio) hexanol usage levels up to:
  0.0500 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.20 (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 8
 average usual ppmaverage maximum ppm
baked goods: -6.00000
beverages(nonalcoholic): -3.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -4.00000
confectionery froastings: -5.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: -5.00000
gelatins / puddings: -4.00000
granulated sugar: --
gravies: -4.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -4.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -4.00000
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :65413
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methylsulfanylhexan-1-ol
Chemidplus:0051755669
 
References:
Leffingwell:Chirality or Article
 3-methylsulfanylhexan-1-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:51755-66-9
Pubchem (cid):65413
Pubchem (sid):135021940
 
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
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB40153
FooDB:FDB019856
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:3-(Methylthio)-1-hexanol
 
Potential Blenders and core components note
For Odor
aldehydic
fresh carbaldehyde
FR
iso
freshal
FR
alliaceous
dibutyl sulfide
FL/FR
dipropyl disulfide
FL/FR
amber
angelica root oil
FL/FR
caramellic
2-iso
butyl-3-methyl pyrazine
FL/FR
chocolate
2,4,5-
trimethyl thiazole
FL/FR
citrus
lime oil fractions
FR
methyl heptenone
FL/FR
neroli ketone
FR
petitgrain combava oil
FR
coumarinic
phthalide
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
floral
allyl anthranilate
FL/FR
cyclohexyl salicylate
FR
floral pyran
FR
geranium pyran
FR
geranium specialty
FR
geranyl propionate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
hyacinth ether
FR
phenethyl butyl ether
FR
(Z)-
rose oxide
FL/FR
fruity
ethyl 3-hexenoate
FL/FR
2-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-ol
FL/FR
tropical thiazole
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
bromstyrol
CS
iso
butyl methyl ketone
FL/FR
2-iso
butyl thiazole
FL/FR
carrot leaf oil (daucus carota ssp.maximus)
FR
cortex pyridine
FL/FR
3,5,6-neo
cyclocitral
FR
galbanum decatriene
FL/FR
galbanum oleoresin
FL/FR
geranium absolute
FL/FR
green ether
FL/FR
1-
heptanol
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal
FL/FR
heptyl cinnamate
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
3-
hexenal
FL/FR
4-
hexenol
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
hexyl heptanoate
FL/FR
lawsonia inermis leaf oil CO2 extract
FR
(Z)-
leaf acetal
FL/FR
leafy acetal
FL/FR
methyl heptine carbonate
FL/FR
nerol oxide
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
octanal dimethyl acetal
FL/FR
2-
octen-1-ol
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
1-
penten-3-ol
FL/FR
3-
phenyl propionaldehyde
FL/FR
iso
propyl phenyl propionaldehyde
FR
iso
propyl quinoline
FR
4-iso
propyl quinoline
FL/FR
rosa damascena leaf absolute
FR
rosacyanthin
FR
rose leaf absolute (rosa centifolia)
FL/FR
styralyl acetate
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
3-
butylidene phthalide
FL/FR
herbal heptane
FR
lovage tincture
FL/FR
rosemary oleoresin
FL/FR
melon
(Z)-6-
nonen-1-ol
FL/FR
minty
iso
propyl tiglate
FL/FR
iso
pulegyl formate
FL/FR
musty
cocoa butenal
FL/FR
spicy
carrot weed oil
FL/FR
sulfurous
cassis pentanone
FL/FR
ethyl methyl mercaptopropionate
FL/FR
grapefruit menthane
FL/FR
lychee mercaptan acetate
FL/FR
mango thiol
FL/FR
passiflora acetate
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
waxy
cyclododecyl acetate
FR
methyl butyl phenyl acetate
FL/FR
woody
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
allyl anthranilate
FL/FR
epoxy-2-decenal
FL
2-
ethyl-4,5-dimethyl oxazole
FL
heptyl cinnamate
FL/FR
3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
2-
hexenal
FL
(E)-2-
hexenal
FL
(E)-4-
hexenal
FL
hexyl heptanoate
FL/FR
2-
methyl thiazole
FL
4-(
methyl thio) butanol
FL
2-
methyl-3-heptanone
FL
3-
methyl-3-pentanol
FL
1,5-
octadien-3-ol
FL
4-iso
propyl quinoline
FL/FR
2-iso
propyl-3-(methyl thio) pyrazine
FL
iso
pulegyl formate
FL/FR
alliaceous
alliaceous
allyl thiopropionate
FL
dipropyl disulfide
FL/FR
dipropyl trisulfide
FL
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
truffle sulfide
FL
aromatic
leafy acetal
FL/FR
celery
3-
butylidene phthalide
FL/FR
coumarinic
phthalide
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
2-
octen-1-ol
FL/FR
fruity
ethyl 3-hexenoate
FL/FR
2,4-
hexadien-1-ol
FL
2-
hexen-1-ol
FL/FR
styralyl acetate
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
angelica root oil
FL/FR
iso
butyl methyl ketone
FL/FR
2-iso
butyl thiazole
FL/FR
2-iso
butyl-3-methyl pyrazine
FL/FR
carrot weed oil
FL/FR
cassis pentanone
FL/FR
cocoa butenal
FL/FR
cortex pyridine
FL/FR
dibutyl sulfide
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
galbanum decatriene
FL/FR
galbanum oleoresin
FL/FR
cis-
galbanum oxathiane
FL/FR
geranium absolute
FL/FR
green ether
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(E)-2-
heptenal
FL
(E)-2-
hexen-1-ol
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
3-
hexenal
FL/FR
2-
hexyl pyridine
FL
horseradish oil
FL
(Z)-
leaf acetal
FL/FR
methyl heptenone
FL/FR
methyl heptine carbonate
FL/FR
4-
methyl thiazole
FL
3-(5-
methyl-2-furyl) butanal
FL
nerol oxide
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
octanal dimethyl acetal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
4-
penten-1-yl acetate
FL
1-
penten-3-ol
FL/FR
3-
phenyl propionaldehyde
FL/FR
2-
propyl pyrazine
FL
iso
propyl tiglate
FL/FR
propylene glycol acetone ketal
FL
rose leaf absolute (rosa centifolia)
FL/FR
(Z)-
rose oxide
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
lovage tincture
FL/FR
rosemary oleoresin
FL/FR
juicy
lychee mercaptan acetate
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
metallic
4-
hexenol
FL/FR
nutty
2,4,5-
trimethyl thiazole
FL/FR
onion
methyl propyl trisulfide
FL
solvent
1-
heptanol
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
grapefruit menthane
FL/FR
mango thiol
FL/FR
methyl benzyl disulfide
FL
tropical
passiflora acetate
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
2-
octen-4-one
FL/FR
waxy
geranyl propionate
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
(Z)-6-
nonen-1-ol
FL/FR
 
Potential Uses:
FLapple
FLcabbage
FLcoffee
 fruit
 fruit tropical fruit
FLgarlic
FLgreen
FLmeat
FLmelon
FLonion
FRpassion fruit
FLtomato
FLvegetable
 
Occurrence (nature, food, other):note
 passion fruit juice yellow
Search Trop Picture
 
Synonyms:
 hexan-1-ol, 3-(methylthio)-
1-hexanol, 3-(methylthio)-
3-methyl mercapto-1-hexanol
3-(methyl mercapto)-1-hexanol
3-methyl thio hexanol
3-methyl thio-1-hexanol
3-methyl thio-1-hexanol natural
3-(methyl thio) hexan-1-ol
3-(methyl thio)-1-hexanol
3-methyl thiohexan-1-ol
3-methyl thiohexanol
3-(methylmercapto)-1-hexanol
3-(methylmercapto)hexanol
3-(methylsulfanyl)hexan-1-ol
3-methylsulfanylhexan-1-ol
3 methylthio hexanol
3-methylthio-1-hexanol
3-methylthio-1-hexanol natural
3-methylthio-1-hexanol natural 1% in ethyl alcohol
3-(methylthio) hexanol
3-(methylthio)-1-hexanol
3-(methylthio)-hexan-1-ol
3-(methylthio)hexan-1-ol
3-(methylthio)hexanol
3-methylthiohexanol
 passiflora hexanol
 
 
Notes:
Flavouring ingredient
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