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

2-naphthyl mercaptan
2-naphthalenethiol

Sponsors

Name:naphthalene-2-thiol
CAS Number: 91-60-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-082-5
FDA UNII:SZ5U1S741V
Nikkaji Web:J60.031H
Beilstein Number:0636389
MDL:MFCD00004086
CoE Number:2330
XlogP3:3.70 (est)
Molecular Weight:160.23876000
Formula:C10 H8 S
BioActivity Summary:listing
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:531 2-naphthalenethiol
FLAVIS Number:12.033 (Old)
DG SANTE Food Flavourings:12.033 naphthalene-2-thiol
FEMA Number:3314 2-naphthalenethiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-NAPHTHALENTHIOL
 
Physical Properties:
Appearance:colorless crystals (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 79.00 to 83.00 °C. @ 760.00 mm Hg
Boiling Point: 286.00 to 288.00 °C. @ 760.00 mm Hg
Boiling Point: 210.00 to 211.00 °C. @ 100.00 mm Hg
Vapor Pressure:0.005000 mm/Hg @ 25.00 °C. (est)
Flash Point: 273.00 °F. TCC ( 133.89 °C. )
logP (o/w): 3.511 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, slightly
 water, 34.4 mg/L @ 25 °C (est)
Insoluble in:
 water
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undecyl mercaptan
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous rubbery meaty roasted woody creamy
Odor Description:at 0.10 % in propylene glycol. sulfurous rubbery meaty roasted woody creamy artichoke
Luebke, William tgsc, (2007)
Odor sample from: Sigma-Aldrich
sulfurous oily brown brothy meaty rubbery mushroom
Odor Description:Sulfureous, oily, brown, brothy, meaty, rubbery, mushroom-like
Mosciano, Gerard P&F 19, No. 1, 27, (1994)
Flavor Type: sulfurous
sulfurous meaty brown chicken roasted chicken eggy nutty
Taste Description: at 10.00 ppm. Sulfureous, meaty, brown, roasted, chicken, eggy with a slight nutty nuance
Mosciano, Gerard P&F 19, No. 1, 27, (1994)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Naphthalenethiol
Parchem
2-naphthyl mercaptan
Penta International
2-NAPHTHALENETHIOL, Kosher, Halal
Santa Cruz Biotechnology
For experimental / research use only.
2-Naphthalenethiol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Naphthalenethiol 99%
Synerzine
2-Naphthalenethiol
TCI AMERICA
For experimental / research use only.
2-Naphthalenethiol >98.0%(GC)(T)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
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

oral-mouse LD50 385 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2-naphthyl mercaptan usage levels up to:
 not for fragrance use.
 
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: 5
 average usual ppmaverage maximum ppm
baked goods: -0.50000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: -0.50000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.50000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.50000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.50000
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):91-60-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7058
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3335
WGK Germany:3
naphthalene-2-thiol
Chemidplus:0000091601
RTECS:QK3930000 for cas# 91-60-1
 
References:
 naphthalene-2-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:91-60-1
Pubchem (cid):7058
Pubchem (sid):134971580
 
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):HMDB29689
FooDB:FDB000875
Export Tariff Code:2930.90.2900
ChemSpider:View
FAO:2-Naphthalenethiol
 
Potential Blenders and core components note
For Odor
moldy
strawberry furanone methyl ether
FL/FR
nutty
2-
methyl-3-(methyl thio) pyrazine
FL/FR
roasted
trigonella foenum-graecum seed oil CO2 extract
FL/FR
sulfurous
benzothiazole
FL/FR
2-
mercaptopropionic acid
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
1,2-
butane dithiol
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
2-
ethyl-3-methyl thiopyrazine
FL
methyl dihydrofuran thiol
FL
2-
methyl-3-(methyl thio) pyrazine
FL/FR
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
thioacetic acid
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
2-
methyl-1-methyl thio-2-butene
FL
meaty
meaty
benzothiazole
FL/FR
2,6-
dimethyl thiophenol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
2-
mercaptopropionic acid
FL/FR
methyl thiofuryl butanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
phenyl mercaptan
FL
propyl 2-mercaptopropionate
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
thialdine
FL
moldy
strawberry furanone methyl ether
FL/FR
phenolic
2-
ethyl benzene thiol
FL
roasted
trigonella foenum-graecum seed oil CO2 extract
FL/FR
sulfurous
methyl 2-methyl-3-furyl disulfide
FL
roasted butanol
FL
 
Potential Uses:
FLchicken
FLegg
FLmeat
FLnut
FLsmoke
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-mercaptonaphthalene
beta-mercaptonaphthalene
 naphthalen-2-thiol
2-naphthalene thiol
beta-naphthalene thiol
 naphthalene-2-thiol
2-naphthalenethiol
beta-naphthalenethiol
2-naphthyl hydrosulfide
beta-naphthyl mercaptan
2-naphthyl thiol
 thio-2-naphthol
2-thionaphthol
2-thionapthol
 

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Notes:
Flavouring ingredient
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