(S)-1-methoxy-3-heptane thiol
aruscol (Firmenich)
 
Notes:
Used as a food additive [EAFUS]
  • Firmenich
    • Firmenich Inc.
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      We create perfumes and flavors for the World's most desirable brands.
      Firmenich is the largest privately-owned company in the perfume and flavor business. Swiss and family owned, we have created many of the world’s favorite perfumes for over 100 years and produced a number of the most well known flavors we enjoy each day.
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      Product(s):
      911125 ARUSCOL® TRIAC Kosher, Halal

      ARUSCOL® TRIAC is absolutely key for passion fruit and tropical fruit tonalities. It also brings authenticity to a wide range of fruit flavors, especially grapefruit.
       
       
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    Flavor Demo Formulas
CAS Number: 400052-49-5Picture of molecule3D/inchi
FDA UNII: 7QSJ4T5U48
Nikkaji Web: J1.771.702B
XlogP3-AA: 2.60 (est)
Molecular Weight: 162.29566000
Formula: C8 H18 O S
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: (Flavour Industry, 2007a; EFFA, 2011b).
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: 1671  (S)-1-methoxy-3-heptanethiol
FLAVIS Number: 12.276 (Old)
DG SANTE Food Flavourings: 12.276  (S)-1-methoxy-3-heptanethiol
FEMA Number: 4162  (S1)-methoxy-3-heptanethiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):400052-49-5 ; (S1)-METHOXY-3-HEPTANETHIOL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.90100 to 0.90800 @  25.00 °C.
Pounds per Gallon - (est).: 7.497 to  7.555
Refractive Index: 1.45600 to 1.45700 @  20.00 °C.
Boiling Point: 203.00 to  204.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.400000 mmHg @ 25.00 °C. (est)
Flash Point: 173.00 °F. TCC ( 78.20 °C. ) (est)
logP (o/w): 2.810 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 230.2 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: sulfurous
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 sulfurous  currant bud black currant bud  green  tropical  fruit tropical fruit  
Odor Description:
at 0.10 % in dipropylene glycol. 
sulfurous black currant green tropical fruit
 
 
Flavor Type: berry
 
 berry  fruity  juicy  tropical  fresh  
Taste Description:
berry fruity juicy tropical fresh
 
Odor and/or flavor descriptions from others (if found).
 
Firmenich
ARUSCOL® TRIAC Kosher, Halal
Taste Description: Fruity, sulfury, fermented, typical of passion fruit
ARUSCOL® TRIAC is absolutely key for passion fruit and tropical fruit tonalities. It also brings authenticity to a wide range of fruit flavors, especially grapefruit.
 
 
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Cosmetic Information:
None found
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Suppliers:
Firmenich
ARUSCOL® TRIAC
Kosher, Halal
Flavor: Fruity, sulfury, fermented, typical of passion fruit
ARUSCOL® TRIAC is absolutely key for passion fruit and tropical fruit tonalities. It also brings authenticity to a wide range of fruit flavors, especially grapefruit.
Parchem
(S)-1-methoxy-3-heptane thiol
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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
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1.9 (μg/person/day)
NOEL (No Observed Effect Level): 0.7 (mg/kg bw per day)
Threshold of Concern:1800 (μg/person/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: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 0.300000.50000
beverages(nonalcoholic): 0.005000.01000
beverages(alcoholic): 0.005000.01000
breakfast cereal: 0.300000.50000
cheese: --
chewing gum: 0.200000.50000
condiments / relishes: --
confectionery froastings: 0.050000.10000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.200000.40000
fruit ices: 0.100000.30000
gelatins / puddings: 0.100000.20000
granulated sugar: --
gravies: --
hard candy: 0.100000.30000
imitation dairy: --
instant coffee / tea: 0.100000.30000
jams / jellies: 0.050000.10000
meat products: 0.200000.50000
milk products: 0.200000.40000
nut products: --
other grains: --
poultry: --
processed fruits: 0.100000.30000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 0.100000.30000
soups: --
sugar substitutes: --
sweet sauces: 0.050000.10000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.001000.01000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.010000.10000
Edible ices, including sherbet and sorbet (03.0): 0.001000.01000
Processed fruit (04.1): 0.001000.01000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.001000.01000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.002000.02000
Bakery wares (07.0): 0.002000.02000
Meat and meat products, including poultry and game (08.0): 0.002000.02000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.002000.02000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.003000.03000
Foodstuffs intended for particular nutritional uses (13.0): 0.003000.03000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.001000.00500
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.005000.05000
Ready-to-eat savouries (15.0): 0.001000.01000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.001000.01000
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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 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012)
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 12009861
National Institute of Allergy and Infectious Diseases: Data
 (3S)-1-methoxyheptane-3-thiol
Chemidplus: 0400052495
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References:
Leffingwell: Chirality or Article
 (3S)-1-methoxyheptane-3-thiol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 12009861
Pubchem (sid): 163642314
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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 Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32380
FooDB: FDB009799
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
lowbush blueberriesCS
red currant juice concentrate 
2-ethyl-N-methyl-N-(3-methyl phenyl) butyramideFR
 raspberry distillatesFL/FR
2-methyl-2-pentenoic acidFL/FR
balsamic
 ethyl cinnamateFL/FR
berry
 blackberry infusionsFL/FR
 blueberry infusionsFL/FR
black currant infusionsFL/FR
 raspberry essenceFL/FR
 raspberry infusionsFL/FR
 rubus fruticosus fruit extractFL/FR
caramellic
 maltolFL/FR
chemical
 propyl propionateFL/FR
citrus
 grapefruit mercaptanFL/FR
sweet orange peel oil c.p. brazilFL/FR
 valenceneFL/FR
ethereal
isopropyl formateFL/FR
fatty
 allyl octanoateFL/FR
floral
 boronia concreteFL/FR
 cassis specialtyFR
 citronellyl butyrateFL/FR
 cyclamen homoaldehydeFR
 dihydrolinaloolFL/FR
 dimethyl benzyl carbinyl propionateFR
4,6-dimethyl-alpha-allyl-3-cyclohexene methanol 
2,4-dimethyl-alpha-allyl-3-cyclohexene methanol 
 gardenia absoluteFR
 gardenia fragranceFR
 gardenia specialtyFR
 greenhouse fragranceFR
 heliotropyl acetateFL/FR
(E)-beta-iononeFL/FR
alpha-iononeFL/FR
beta-ironeFL/FR
calla lily fragranceFR
 lily propanolFR
 methoxymelonalFL/FR
 methyl dihydrojasmonateFL/FR
alpha-isomethyl ionone (70% min.)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 petitgrain oil fractionsFR
 phenethyl butyrateFL/FR
 apple ketalFL/FR
 banana fragranceFR
 blueberry essenceFL/FR
 boysenberry essenceFL/FR
 butyl anthranilateFL/FR
 butyl isobutyrateFL/FR
 citronellyl isobutyrateFL/FR
black currant essenceFL/FR
red currant essenceFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl alpha-ethyl-beta-methyl-beta-phenyl glycidateFL/FR
 filbert hexenoneFL/FR
 grape butyrateFL/FR
(E)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
 juicy fruit fragranceFR
 lippia javanica leaf oilFR
 lychee fragranceFR
 maltyl acetateFL/FR
 maltyl butyrateFL/FR
 mango fragranceFR
 mango specialtyFR
 methyl isobutyrateFL/FR
 neryl isobutyrateFL/FR
 octyl propionateFL/FR
 osmanthus flower absoluteFL/FR
 propyl hexanoateFL/FR
isopropyl propionateFL/FR
black raspberry essenceFL/FR
red raspberry essenceFL/FR
 ribes nigrum fruit extractFL/FR
 ribes rubrum fruit extractFL/FR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 strawberry infusionsFL/FR
green
 ethyl (E)-2-hexenoateFL/FR
 green cyclopropionateFR
(Z)-3-hepten-1-yl acetateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 styralyl acetateFL/FR
herbal
3-mercapto-4-heptanone 
2-pentyl acetateFL/FR
melon
(Z)-6-nonen-1-yl acetateFL/FR
powdery
(E)-alpha-methyl ionone (74-80%)FL/FR
soapy
 ambrettolideFL/FR
sulfurous
 grapefruit menthaneFL/FR
 lychee mercaptan acetateFL/FR
 mango thiolFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
tropical
 ethyl (Z)-3-hexenoateFL/FR
2-tropical oxathianeFL/FR
waxy
 allyl nonanoateFL/FR
 
For Flavor
 
No flavor group found for these
 boronia concreteFL/FR
 ethyl (Z)-3-hexenoateFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
3-mercapto-4-heptanone 
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
2-tropical oxathianeFL/FR
 acai fruit juice concentrateFL
balsamic
 ethyl cinnamateFL/FR
berry
 acai fruit concentrateFL
 berries & cream flavorFL
marion berry flavorFL
wild berry flavorFL
red berry flavorFL
 berry flavorFL
wild blackberry flavorFL
 blackberry flavorFL
 blackberry infusionsFL/FR
 blackberry raspberry flavorFL
 blueberry distillatesFL
 blueberry enhancerFL
 blueberry essenceFL/FR
wild blueberry flavorFL
 blueberry flavorFL
 blueberry infusionsFL/FR
 blueberry juice concentrateFL
 blueberry pureeFL
 blueberry puree concentrateFL
 boysenberry flavorFL
red currant flavorFL
black currant flavorFL
black currant infusionsFL/FR
red currant juice concentrate 
black currant juice concentrateFL
 gooseberry distillatesFL
 gooseberry flavorFL
 huckleberry flavorFL
 maltyl acetateFL/FR
 maltyl butyrateFL/FR
 mulberry flavorFL
 prunus spinosa extractFL
 raspberry distillatesFL/FR
 raspberry enhancerFL
 raspberry essenceFL/FR
red raspberry flavorFL
 raspberry flavorFL
black raspberry flavorFL
 raspberry flavor for chocolateFL
 raspberry infusionsFL/FR
 rubus fruticosus fruit extractFL/FR
 rubus fruticosus fruit juiceFL
 rubus idaeus fruit extractFL
 sloeberry flavorFL
blueberry
sour blueberry flavorFL
caramellic
 maltolFL/FR
chocolate
 chocolate blueberry flavorFL
citrus
 grapefruit mercaptanFL/FR
 lime flavorFL
3-mercaptoheptyl acetateFL
sweet orange peel oil c.p. brazilFL/FR
 valenceneFL/FR
dairy
2-pentyl acetateFL/FR
estery
 octyl propionateFL/FR
ethereal
4-hexen-3-oneFL
 methyl isobutyrateFL/FR
fatty
 allyl octanoateFL/FR
floral
 dihydrolinaloolFL/FR
2,4-dimethyl-alpha-allyl-3-cyclohexene methanol 
4,6-dimethyl-alpha-allyl-3-cyclohexene methanol 
 heliotropyl acetateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
alpha-iononeFL/FR
beta-ironeFL/FR
 methyl dihydrojasmonateFL/FR
alpha-isomethyl ionone (70% min.)FL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
fruity
 acai flavorFL
 acai fruit distillatesFL
 acai pineapple flavorFL
 apple flavorFL
 apple juice flavorFL
 apple ketalFL/FR
 apple raspberry flavorFL
 apple strawberry flavorFL
 apricot berry flavorFL
 banana berry flavorFL
 banana blueberry flavorFL
 banana strawberry flavorFL
tropical berry flavorFL
 blueberry cream flavorFL
 blueberry pear flavorFL
 blueberry pomegranate flavorFL
 boysenberry essenceFL/FR
 boysenberry pureeFL
 boysenberry puree concentrateFL
 bumbleberry flavorFL
 butyl anthranilateFL/FR
 butyl isobutyrateFL/FR
 cherry almond flavorFL
 cherry apricot flavorFL
 cherry berry flavorFL
 cherry black currant flavorFL
 cherry blackberry flavorFL
 cherry distillatesFL
black cherry flavorFL
bing cherry flavorFL
 cherry flavorFL
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
black currant essenceFL/FR
red currant essenceFL/FR
 currant flavorFL
 cyclohexyl carboxylic acidFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-methyl-2-pentenoateFL
 ethyl (E)-2-octenoateFL
 ethyl 2-methyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl alpha-ethyl-beta-methyl-beta-phenyl glycidateFL/FR
 filbert hexenoneFL/FR
 kiwi flavorFL
 kumquat flavorFL
 lingonberry flavorFL
 methoxymelonalFL/FR
 neryl isobutyrateFL/FR
(Z)-3-nonen-1-yl acetateFL
 osmanthus flower absoluteFL/FR
 passion fruit distillatesFL
 peach flavorFL
 phenethyl butyrateFL/FR
 pomegranate distillatesFL
isopropyl formateFL/FR
 propyl hexanoateFL/FR
isopropyl propionateFL/FR
 raspberry blackberry flavorFL
black raspberry currant flavorFL
red raspberry distillatesFL
black raspberry essenceFL/FR
red raspberry essenceFL/FR
black raspberry juice concentrateFL
red raspberry juice concentrateFL
red raspberry pureeFL
black raspberry pureeFL
red raspberry puree concentrateFL
black raspberry puree concentrateFL
 ribes nigrum fruit extractFL/FR
 ribes rubrum fruit extractFL/FR
 sambucus canadensis fruit absoluteFL/FR
ripe strawberry flavorFL
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 strawberry infusionsFL/FR
 styralyl acetateFL/FR
 tangerine maqui berry flavorFL
green
 grape butyrateFL/FR
(E)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
herbal
marion blackberry distillatesFL
juicy
 lychee mercaptan acetateFL/FR
soapy
 ambrettolideFL/FR
sour
2-methyl-2-pentenoic acidFL/FR
sulfurous
 grapefruit menthaneFL/FR
 mango thiolFL/FR
 methyl 2-(methyl thio) butyrateFL
tropical
 propyl propionateFL/FR
waxy
 allyl nonanoateFL/FR
woody
(E)-beta-iononeFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 ruta chalepensis
Search Trop  Picture
 sage clary sage
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Synonyms:
 aruscol (Firmenich)
3-heptanethiol, 1-methoxy-, (3S)-
(S1)-methoxy-3-heptane thiol
(S)-1-methoxy-3-heptanethiol
(S1)-methoxy-3-heptanethiol
(3S)-1-methoxyheptane-3-thiol
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Articles:
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