hexyl mercaptan
1-hexanethiol
 
Notes:
Food additive listed in the EAFUS Food Additive Database (Jan. 2001). Present in cooked meats. Food flavouring agent
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
      US Email: Customer Service
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      Resources
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      Product(s):
      W0170 1-hexanethiol
       
  • DeLong Chemicals America
    • DeLong Chemicals America
      Custom Manufacturing
      Supplier of aroma chemicals, pharmaceutical and specialty chemical intermediates.
      DeLong Chemicals America, LLC is an extension of Shijiazhuang Lida Chemical Co, Ltd to North America, a leading supplier and manufacturer of aroma chemicals, serving the industries of food, tobacco and perfume, while also providing intermediates, custom synthesis and custom manufacturing for pharmaceutical and specialty chemical industries.
      US Email: Customer Service
      US Email: Sales
      US Voice: (203) 271-9017
      New products
      Product(s):
      0332 1-Hexanethiol
       
  • Frutarom
    • Frutarom Ltd
      Discover Our Passion
      Your preferred partner for flavour and fragrance success.
      At Frutarom, we take pride in our expertise and knowledge of Flavour & Fragrance Ingredients and our thorough understanding of the needs of Flavourists, Perfumers and Food Technologists. Working closely with our customers we have a strong track record of providing unique solutions to fulfil requirements.
      US Email: Info- USA
      Email: Info - UK
      Voice: +44 (0) 1429 863 222
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      Products List: View
      Product(s):
      1NCH0730 1-HEXANE THIOL NI, Kosher
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      08-24300 1-HEXANETHIOL
       
  • Robinson Brothers
  • Taytonn
    • TAYTONN PTE LTD
      Supplying Asia Pacific
      We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.
      Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers.
      Email: Info
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      Voice: + 65 - 6861 8113
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      Product(s):
      1-Hexane Thiol
       
  • TCI AMERICA
    • TCI AMERICA
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 60 years of synthesis experience and multi-purpose plants enable TCI to offer more than 27,000 products as well as custom synthesis. TCI established overseas facilities in North America, Europe, China and India to serve customers worldwide.
      Email: Sales
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      Product(s):
      H0103 Hexyl Mercaptan >96.0%(GC)
       
Synonyms   Articles   Notes   Search
hexane-1-thiol (Click)
CAS Number: 111-31-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 203-857-0
FDA UNII: 1KH2129A0Q
Nikkaji Web: J43.519H
Beilstein Number: 1731295
MDL: MFCD00004909
CoE Number: 11487
XlogP3: 3.30 (est)
Molecular Weight: 118.24258000
Formula: C6 H14 S
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
JECFA Food Flavoring: 518  1-hexanethiol
Flavis Number: 12.132 (Old)
DG SANTE Food Flavourings: 12.132  hexane-1-thiol
FEMA Number: 3842  1-hexanethiol
FDA Mainterm: 1-HEXANETHIOL
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.83800 @  25.00 °C.
Refractive Index: 1.44820 @  20.00 °C.
Melting Point: -81.00 to  -80.00 °C. @ 760.00 mm Hg
Boiling Point: 150.00 to  154.00 °C. @ 760.00 mm Hg
Vapor Pressure: 4.497000 mm/Hg @ 25.00 °C. (est)
Flash Point: 69.00 °F. TCC ( 20.56 °C. )
logP (o/w): 3.480 (est)
Soluble in:
 alcohol
 oil
 water, 177.1 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl mercaptan
amyl mercaptan
isoamyl mercaptan
sec-amyl mercaptan
tert-amyl mercaptan
benzyl mercaptan
buchu mercaptan
butyl mercaptan
isobutyl mercaptan
tert-butyl mercaptan
cetyl mercaptan
cyclohexyl mercaptan
cyclopentyl mercaptan
decyl mercaptan
dodecyl mercaptan
2-ethyl hexyl mercaptan
ethyl mercaptan
ethylene mercaptan
furfuryl mercaptan
grapefruit mercaptan
heptyl mercaptan
methyl mercaptan
2-naphthyl mercaptan
nonyl mercaptan
octyl mercaptan
peach mercaptan
1-phenethyl mercaptan
2-phenethyl mercaptan
phenyl mercaptan
prenyl mercaptan
propyl mercaptan
isopropyl mercaptan
2-thienyl mercaptan
3-thienyl mercaptan
tridecyl mercaptan
undecyl mercaptan
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: burnt
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 burnt  fatty  sulfurous  meaty  garlic  roasted  
Odor Description:
at 0.10 % in propylene glycol. 
burnt fat sulfury meaty fatty garlic roasted burnt
 roasted  meaty  sulfurous  alliaceous  roasted  meaty  nutty  
Odor Description:
at 1.00 %.  
Intense roasted meaty, sulfurous and slightly alliaceous with roasted meaty and nutty nuance
Mosciano, Gerard P&F 25, No. 3, 25, (2000)
 roasted  burnt  meaty  fatty  rubbery  sulfurous  vegetable  
Taste Description:
at 1.00 - 3.00 ppm. 
Roasted burnt meat with a fatty, rubbery and sulfurous vegetative nuance
Mosciano, Gerard P&F 25, No. 3, 25, (2000)
  
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Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
CTC Organics
1-hexanethiol
DeLong Chemicals America
1-Hexanethiol
Frutarom
1-HEXANE THIOL
NI, Kosher
Penta International
1-HEXANETHIOL
Robinson Brothers
1-Hexanethiol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
1-Hexanethiol
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-Hexanethiol 95%
Taytonn
1-Hexane Thiol
TCI AMERICA
For experimental / research use only.
Hexyl Mercaptan >96.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Hexyl Mercaptan
Synonyms   Articles   Notes   Search   Top
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 20/22 - Harmful by inhalation and if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
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 36/37/39 - Wear suitable clothing, 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:
intraperitoneal-mouse LD50  200 mg/kg
National Technical Information Service. Vol. AD277-689

intraperitoneal-mouse LD50  1254 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: COMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

intraperitoneal-rat LD50  396 mg/kg
LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-mouse LC50 528 ppm/4H
SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

inhalation-rat LC50 1080 ppm/4H
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

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Safety in Use Information:
Category: flavoring agents
Recommendation for hexyl mercaptan usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (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: 18
Click here to view publication 18
 average usual ppmaverage maximum ppm
baked goods: 0.100005.00000
beverages(nonalcoholic): 0.100005.00000
beverages(alcoholic): --
breakfast cereal: 0.100005.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100005.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.100005.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100005.00000
milk products: 0.100005.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.500005.00000
snack foods: --
soft candy: 0.100005.00000
soups: 0.100005.00000
sugar substitutes: --
sweet sauces: 0.100005.00000
Synonyms   Articles   Notes   Search   Top
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
EPI System: View
NIOSH International Chemical Safety Cards: search
NIOSH Pocket Guide: search
EPA Substance Registry Services (TSCA): 111-31-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 8106
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3336
WGK Germany: 3
 hexane-1-thiol
Chemidplus: 0000111319
EPA/NOAA CAMEO: hazardous materials
RTECS: 111-31-9
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References:
 hexane-1-thiol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 111-31-9
Pubchem (cid): 8106
Pubchem (sid): 134975017
Flavornet: 111-31-9
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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
CHEBI: View
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB39806
FooDB: FDB019456
Export Tariff Code: 2930.90.9190
Haz-Map: View
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
FAO: 1-Hexanethiol
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
coffee
coffee
roasted arabica coffee bean oil CO2 extractFL/FR
 furfuryl mercaptanFL/FR
green
(E,Z)-2,6-nonadienalFL/FR
nutty
3-acetyl pyridineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
 ethyl 2-mercaptopropionateFL/FR
 fish thiolFL/FR
2-mercaptopropionic acidFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 
For Flavor
 
No flavor group found for these
 dimethyl tetrasulfideFL
2,5-dimethyl-3-thiofuroyl furanFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
2-methyl-1-butane thiolFL
2-methyl-3-(methyl thio) pyrazineFL/FR
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
1,9-nonane dithiolFL
isopropyl disulfideFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2-methyl-1-methyl thio-2-buteneFL
alliaceous
1,3-butane dithiolFL
3-tetrahydrothiophenoneFL
burnt
 bacon dithiazineFL
1,6-hexane dithiolFL
2-methyl quinoxalineFL
coffee
roasted arabica coffee bean oil CO2 extractFL/FR
 furfuryl mercaptanFL/FR
 methyl furfuryl thiolFL
earthy
1,8-octane dithiolFL
eggy
isopropyl mercaptanFL
garlic
 garlic oleoresinFL
green
(E,Z)-2,6-nonadienalFL/FR
meaty
2,6-dimethyl thiophenolFL
2,5-dimethyl-3-furan thiolFL
 furfuryl 2-methyl-3-furyl disulfideFL
2-mercaptopropionic acidFL/FR
2-methyl 3-(methyl thio) furanFL
S-(2-methyl-3-furyl) ethane thioateFL
2-methyl-3-tetrahydrofuran thiolFL
 phenyl mercaptanFL
 propyl 2-mercaptopropionateFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 thialdineFL
ortho-thiocresolFL
metallic
2,5-dihydroxy-1,4-dithianeFL
nutty
3-acetyl pyridineFL/FR
 nutty thiazoleFL
onion
 ethyl 2-mercaptopropionateFL/FR
sulfurous
2,3-butane dithiolFL
 butyl mercaptanFL
S-ethyl thioacetateFL
 fish thiolFL/FR
 methyl 2-methyl-3-furyl disulfideFL
 roasted butanolFL
 
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Potential Uses:
 chocolateFL
 coffeeFL
 cucumberFL
 currant blackFL
 fishFL
 fruit 
 mangoFL
 meat 
 nut peanutFL
 passion fruit 
 peachFL
 pepper greenFL
 tomatoFL
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Occurrence (nature, food, other): note
 beef
Search  Picture
 chicken cooked chicken
Search  Picture
 pork
Search  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
1-hexane thiol
 hexane-1-thiol
1-hexanethiol
N-hexanethiol
N-hexyl mercaptan
1-hexyl thiol
N-hexylmercaptan
1-hexylthiol
N-hexylthiol
1-mercaptohexane
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