amyl mercaptan
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :pentane-1-thiol
InChI :InChI=1/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey :ZRKMQKLGEQPLNS-UHFFFAOYAZ
SMILES :CCCCCS
cas number :110-66-7
(EINECS) number :203-789-1
beilstein number :1730979
fema number :4333
jecfa number :1662
fl. number :12.191
molar refractivity :33.10 ± 0.3 cm3
parachor :282.9 ± 4.0 cm3
index of refraction :1.442 ± 0.02
surface tension :26.1 ± 3.0 dyne/cm
density :0.832 ± 0.06 g/cm3
polarizability :13.12 ± 0.5 10-24cm3
XlogP : 2.80
XlogP3-AA : 2.30
molecular weight : 104.2137800 (IUPAC)
formula :C5 H12 S
NMR Predictor :Predict
 
 
export tariff code :2930.90.5050
fda reg :unspecified
Suppliers :
Endeavour :1-Pentanethiol
98%
Penta :1-pentane thiol
Sigma-Aldrich-Aldrich :1-Pentanethiol
Treatt :1-Pentanethiol
organoleptics :
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  		meaty
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.83100 to 0.84400 @ 25.00 °C.
pounds per gallon - calc. : 6.915 to 7.023
refractive index :1.44100 to 1.45000 @ 20.00 °C.
boiling point : 124.00 to 127.00 °C. @ 760.00 mm Hg
vapor pressure :13.80000 mm/Hg @ 25.00 °C.
flash point : 65.00  °F.  TCC  ( 18.33 °C. )
logP (o/w) : 2.74
safety :
most important hazard(s) :Xn - Harmful.
  R 11 - Highly flammable.
R 20/22 - Harmful by inhalation and if swallowed.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Subcutaneous-Mouse  >100.00  mg/kg
Nature. Vol. 174, Pg. 737, 1954.

Inhalation Toxicity(LC50) :
  Inhalation-Rat  2000.00  ppm/4H
  Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.

 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.12 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :78 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
recommendation for amyl 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 on the "LIBRARY" link.
publication number : 23
 average usual ppmaverage maximum ppm
baked goods : 0.060000.50000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : --
cheese : 0.010000.05000
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : 0.100000.50000
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : 0.050000.50000
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 0.100000.50000
milk products : 0.100000.50000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 0.400002.00000
snack foods : --
soft candy : --
soups : 0.100000.50000
sugar substitutes : --
sweet sauces : --
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 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 (EFFA, 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) : 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 0.100000.50000
Edible ices, including sherbet and sorbet (03.0) : 0.200001.00000
Processed fruit (04.1) : 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 0.200001.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 0.100000.50000
Bakery wares (07.0) : 0.200001.00000
Meat and meat products, including poultry and game (08.0) : 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 0.100000.20000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0) : 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 0.100000.30000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 0.200001.00000
Ready-to-eat savouries (15.0) : 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 0.100000.50000
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1111
 
WGK Germany :3
 
 
 
 pentane-1-thiol
(EINECS) number :203-789-1
RTECS :110-66-7
chemidplus :000110667
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :110-66-7
references :
 pentane-1-thiol
fl. number :12.191
jecfa number :1662
NIST Chemistry WebBook :1906723593
pubchem :151187
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 amyl sulfhydrate
 amyl thioalcohol
2-methyl butyl mercaptan
1-pentane thiol
 pentane-1-thiol
1-pentanethiol
 pentyl mercaptan
 thioamyl alcohol
soluble in :
 alcohol
 water, 156 mg/L @ 20C
insoluble in :
 water
(odor and/or flavor) blends with :
4-acetyl-2-methyl pyrimidine
2-acetyl-2-thiazoline
 allyl disulfide
 allyl mercaptan
 allyl methyl disulfide
 allyl methyl sulfide
 allyl methyl trisulfide
 allyl propyl disulfide
 allyl propyl sulfide
 allyl propyl trisulfide
 allyl sulfide
 allyl thiopropionate
4-allyl-2,6-dimethoxyphenol
4-aminobutyric acid
isoamyl mercaptan
 asafetida absolute
 asafetida oil
 bacon dithiazine
 benzothiazole
 benzyl mercaptan
2,3-butane diol
1,2-butane dithiol
1,3-butane dithiol
2,3-butane dithiol
 butyl mercaptan
2-(2-butyl)-4,5-dimethyl-3-thiazoline
 butyraldehyde
 coffee difuran
 cyclopentyl mercaptan
 cyclopropyl (E,Z)-2,6-nonadienamide
(E,E)-2,4-decadien-1-al
 diallyl polysulfides
 diallyl tetrasulfide
 diallyl trisulfide
 dicyclohexyl disulfide
 diethyl disulfide
2,5-diethyl thiazole
 diethyl trisulfide
3,5-diethyl-2-methyl pyrazine
2,5-diethyl-3-methyl pyrazine
 difurfuryl sulfide
2,5-dihydroxy-1,4-dithiane
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
 dimethyl disulfide
2,5-dimethyl furan
 dimethyl sulfide
 dimethyl tetrasulfide
2,6-dimethyl thiophenol
 dimethyl trisulfide
4,5-dimethyl-2-ethyl-3-thiazoline
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
2,5-dimethyl-3-furan thiol
bis(2,5-dimethyl-3-furyl) disulfide
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuran
2,5-dimethyl-3-thiofuroyl furan
 dipropyl disulfide
 dipropyl sulfide
 dipropyl trisulfide
1,4-dithiane
1,1-ethane dithiol 1% in ethanol
2-ethoxythiazole
 ethyl (E,Z)-2,6-nonadienamide
S-ethyl 2-acetyl aminoethane thioate
 ethyl 3-(furfuryl thio) propionate
 ethyl 3-mercaptopropionate
 ethyl 4-(acetyl thio) butyrate
 ethyl methyl trisulfide
 ethyl propyl disulfide
 ethyl propyl trisulfide
S-ethyl thioacetate
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazoline
 fish thiol
 furfuryl isopropyl sulfide
 furfuryl methyl sulfide
4-furfuryl thio-2-pentanone
 furfuryl thiopropionate
 garlic oleoresin
 hazelnut pyrazine
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
 heptyl mercaptan
1,6-hexane dithiol
 hexyl mercaptan
 massoia bark oil
 meaty dithiane
1-para-menthene-8-thiol
3-mercapto-2-methyl pentanal
3-mercapto-2-methyl pentanol
3-mercapto-2-pentanone
4-mercapto-2-pentanone 1% in acetoin
(R*,S*)-2-mercapto-3-butanol
2-mercapto-3-pentanone
2-mercaptomethyl pyrazine
2-mercaptopropionic acid
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
 methyl 2-(methyl thio) butyrate
 methyl 2-methyl-3-furyl disulfide
 methyl 2-thiofuroate
2-methyl 3-(methyl thio) furan 10% in triacetin
 methyl 3-(methyl thio) propionate
 methyl 3-mercaptobutanoate
4-methyl 4-mercaptopentan-2-one 1% in pg
2-methyl 5-(methyl thio) furan
 methyl benzoxole
 methyl dihydrofuran thiol
4-methyl nonanoic acid
 methyl propyl disulfide
 methyl propyl trisulfide
2-methyl pyrazine
2-methyl thiazolidine
2-(methyl thio) acetaldehyde
2-(methyl thio) ethanol
3-(methyl thio) hexanol
2-(methyl thio) methyl-2-butenal
3-(methyl thio) propanol
 methyl thiomethyl butyrate
12-methyl tridecanal
2-methyl-1-butanol
2-methyl-1-methyl thio-2-butene
3-methyl-2-butane thiol
2-methyl-3-,5 or 6-(furfuryl thio) pyrazine
2-methyl-3-(methyl thio) pyrazine
2-methyl-3-furyl tetrasulfide
bis(2-methyl-3-furyl) disulfide
S-(2-methyl-3-furyl) ethane thioate
3-((2-methyl-3-furyl)thio)-4-heptanone
4-((2-methyl-3-furyl)thio)-5-nonanone
2-methyl-3-tetrahydrofuran thiol
2-naphthyl mercaptan
1,9-nonane dithiol
 nutty thiazole
1,8-octane dithiol
 onion oil
 onion oleoresin
 peanut dithiazine
4-penten-1-yl acetate
1-phenethyl mercaptan
1,3-propane dithiol
 propenyl propyl disulfide
2-propionyl-2-thiazoline
 propyl 2-mercaptopropionate
 propyl 2-methyl-3-furyl disulfide
isopropyl disulfide
 propyl mercaptan
isopropyl mercaptan
 propyl thioacetate
 pyrazinyl ethane thiol
2-pyridinyl methane thiol
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
 roasted butanol
 rum ether
 sulfuryl acetate
3-tetrahydrothiophenone
3-thienyl mercaptan
1-(2-thienyl) butanone
ortho-thiocresol
 thioguaiacol
2,4,6-trithiaheptane 10% in triacetin
2,3,5-trithiahexane
 tyramine
natural occurrence in :
beer - up to 0.008 mg/kg



information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/28/2009