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cyclopentyl mercaptan

Chemical Structure

General Material Information

Preferred name cyclopentyl mercaptan
Trivial Name Cyclopentanethiol
Short Description cyclopentanethiol
Formula C5 H10 S
CAS Number 1679-07-8
FEMA Number 3262
Flavis Number 12.029
ECHA Number 216-841-3
FDA UNII H279996YO9
Nikkaji Number J43.297K
Beilstein Number 2343861
MDL MFCD00001369
COE Number 2321
xLogP3-AA 1.80 (est)
NMR Predictor External link
JECFA Food Flavoring 516 cyclopentanethiol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1679-07-8 ; CYCLOPENTANETHIOL
Synonyms
  • cyclopentane thiol
  • cyclopentanethiol
  • cyclopentyl thiol
  • cyclopentylmercaptan
  • cyclopentylthiol
  • mercaptocyclopentane

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

cyclopentanethiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1679-07-8
Pubchem (cid):15510
Pubchem (sid):134981357
Pherobase:View
Publications by PubMed
[Inhibitory effect on Microcystis aeruginosa as well as separation and identification of the allelochemicals of welsh onion].
Matrix metalloproteinase inhibitors based on the 3-mercaptopyrrolidine core.
N-(tert)-butyloxycarbonyl)-beta,beta-cyclopentyl-cysteine (acetamidomethyl)-methyl ester for synthesis of novel peptidomimetic derivatives.
Inhibition of nitric-oxide synthase enhances antigen-induced contractions and increases release of cysteinyl-leukotrienes in guinea pig lung parenchyma: nitric oxide as a protective factor.
Characterization of a new class of selective nonsteroidal progesterone receptor agonists.
Glutathione analogues in cancer treatment.
Does nitric oxide allow endothelial cells to sense hypoxia and mediate hypoxic vasodilatation? In vivo and in vitro studies.
Intrinsic optical signals in the dorsal horn of rat spinal cord slices elicited by brief repetitive stimulation.
Serine and alanine mutagenesis of the nine native cysteine residues of the human A(1) adenosine receptor.
Mechanisms of inhibitory effects of zinc and cadmium ions on agonist binding to adenosine A1 receptors in rat brain.
CNS adenosine A1 receptors are altered after the administration of convulsant 3-mercaptopropionic acid and cyclopentyladenosine: an autoradiographic study.
New alpha-thiol dipeptide dual inhibitors of angiotensin-I converting enzyme and neutral endopeptidase EC 3.4.24.11.
Cysteine esters protect cultured rodent lung slices from sulphur mustard.
Inhibitory effect of selected antiviral compounds on arenavirus replication in vitro.
Chemical modification of A1 adenosine receptors in rat brain membranes. Evidence for histidine in different domains of the ligand binding site.
Angiotensin-converting enzyme inhibitors. New orally active antihypertensive (mercaptoalkanoyl)- and [(acylthio)alkanoyl]glycine derivatives.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB39771
FooDB:FDB019419
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Cyclopentanethiol

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 102.19969940186
Specific gravity @ 25 °C
Pounds per Gallon 7.655 to 7.697
Refractive Index 1.488 to 1.4902 @ 20 °C
Boiling Point 41 to 42°C @ 16 mm Hg
Boiling Point 130 to 132°C @ 760 mm Hg
Vapor Pressure 1 mmHg @ 20 °C
Vapor Density 1
Flash Point TCC Value 25 °C TCC
logP (o/w) 2.377 est
Solubility
alcohol Yes
oils Yes
water, 758 mg/L @ 25 °C (calc.) Yes
water, 758.1 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Alliaceous
alliaceous, onion, garlic, horseradish, vegetable, celery, eggy, meaty
General comment At 0.01 % in propylene glycol. alliaceous onion garlic horseradish vegetable celery eggy
Mosciano, Gerard P&F 14, No. 6, 47, (1989) Alliaceous, onion, garlic, horseradish, vegetable-celery, egg, sauteed meat
Flavor Type: Alliaceous
alliaceous, onion, garlic, horseradish, meaty, eggy, burnt, vegetable, celery
Mosciano, Gerard P&F 14, No. 6, 47, (1989) At 2.00 ppm. Alliaceous, onion, garlic, horseradish, meat, egg, burned, vegetable, celery

Occurrences

Potential Uses

Applications
Flavoring purposes Egg, Garlic, Horseradish, Meat, Onion

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24 - Avoid contact with skin.
S 36 - Wear suitable protective clothing.
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:
oral-mouse LD50 [sex: M,F (5/group)] 2680 mg/kg
Use of both sexes not clear from reference
(Oser, 1970c)

oral-mouse LD50 2680 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 cyclopentyl mercaptan usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
NOEL (No Observed Effect Level): 0.56 (mg/kg bw per day)
Structure Class: II
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
Click here to view publication 5
average usual ppmaverage maximum ppm
baked goods: -0.10000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: -0.10000
cheese: --
chewing gum: --
condiments / relishes: -0.10000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.10000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.10000
milk products: -0.10000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.10000
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

Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1679-07-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15510
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3336
WGK Germany:3
cyclopentanethiol
Chemidplus:0001679078
RTECS:GY4701000 for cas# 1679-07-8