cyclopentyl mercaptan
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IUPAC name :cyclopentanethiol
InChI :InChI=1/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2
InChIKey :WVDYBOADDMMFIY-UHFFFAOYAN
SMILES :C1CCC(C1)S
cas number :1679-07-8
(EINECS) number :216-841-3
beilstein number :2343861
fema number :3262
coe number :2321
jecfa number :516
fl. number :12.029
molar refractivity :30.98 ± 0.4 cm3
parachor :251.5 ± 6.0 cm3
index of refraction :1.490 ± 0.03
surface tension :30.5 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :12.28 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 102.1979000 (IUPAC)
formula :C5 H10 S
NMR Predictor :Predict
 
 
export tariff code :2910.90
fda reg :unspecified

Suppliers :
Endeavour :Cyclopentanethiol
97%
Penta :cyclopentanethiol
SAFC Global® :Cyclopentanethiol
≥97%, Kosher
Odor:  meaty; alliaceous (onion, garlic); vegetable

organoleptics :
odor type :alliaceous
odor strength :high ,
recommend smelling in a 0.01 % solution or less
odor description:
at 0.01 % in propylene glycol.  
alliaceous onion garlic horseradish vegetable celery eggy
odor description:
Alliaceous, onion, garlic, horseradish, vegetable-celery, egg, sauteed meat
Mosciano, Gerard P&F 14, No. 6, 47, (1989)
taste description:
at 2.00 ppm.  
Alliaceous, onion, garlic, horseradiah, meat, egg, burned, vegetable, celery
Mosciano, Gerard P&F 14, No. 6, 47, (1989)

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92000 to 0.92500 @ 25.00 °C.
pounds per gallon - calc. : 7.655 to 7.697
refractive index :1.48800 to 1.49020 @ 20.00 °C.
boiling point : 41.00 to 42.00 °C. @ 16.00 mm Hg
boiling point : 130.00 to 132.00 °C. @ 760.00 mm Hg
vapor pressure :1.00000 mm/Hg @ 20.00 °C.
vapor density :1.0 ( Air = 1 )
flash point : 77.00  °F.  TCC  ( 25.00 °C. )
logP (o/w) : 2.21

safety :
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.
Oral Toxicity(LD50) : 
  Oral-Mouse   [sex: M,F (5/group)]  2680.00  mg/kg
(Oser, 1970c)

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
 
recommendation for cyclopentyl mercaptan fragrance usage levels up to :
 not for fragrance use.
recommendation for cyclopentyl mercaptan flavor usage levels up to :
  2.0000 ppm in the flavor.

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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3336
 
WGK Germany :3
 
 
 
 
cyclopentanethiol
(EINECS) number :216-841-3
RTECS :GY4701000 for cas# 1679-07-8
chemidplus :001679078
EPA Substance Registry Services :1679-07-8

references :
 
cyclopentanethiol
fl. number :12.029
jecfa number :516
NIST Chemistry WebBook :2720898137
pubchem :158821

other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 cyclopentane thiol
 cyclopentanethiol
 cyclopentyl thiol
 mercaptocyclopentane

Similar Products:    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
 decyl mercaptan
 dodecyl mercaptan
2-ethyl hexyl mercaptan
 ethyl mercaptan
 ethylene mercaptan
 furfuryl mercaptan
 grapefruit mercaptan
 heptyl mercaptan
 hexyl 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

soluble in :
 alcohol
 oils
 water, 758 mg/L @ 25C

insoluble in :
 water

potential blenders :    note
 allyl disulfideFL
 allyl methyl disulfideFL
 allyl methyl sulfideFL
 allyl propyl disulfideFL
 allyl propyl trisulfideFL
 allyl sulfideFL
 allyl thiopropionateFL
isoamyl mercaptanFL
 asafetida absoluteFL/FR
 benzyl mercaptanFL
1,3-butane dithiolFL
 butyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 dicyclohexyl disulfideFL
 diethyl trisulfideFL
2,5-dihydroxy-1,4-dithianeFL
 dimethyl tetrasulfideFL
 dipropyl sulfideFL
 ethyl 3-(furfuryl thio) propionateFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
 furfuryl acetateFL/FR
 furfuryl methyl sulfideFL
 garlic oil chinaFL
 garlic oleoresinFL
3-mercapto-2-pentanoneFL
 methyl 3-mercaptobutanoateFL
2-methyl 5-(methyl thio) furanFL
bis(methyl thio) methaneFL
 onion oleoresinFL
1-penten-3-olFL/FR
4-pentenyl isothiocyanateFL
2-phenethyl isothiocyanateFL
 phenyl mercaptanFL
isopropyl disulfideFL
isopropyl mercaptanFL
 radish isothiocyanateFL
3-tetrahydrothiophenoneFL
ortho-thiocresolFL
 tonka bean oleoresinFR

potential uses :
 egg
 garlic
 horseradish
 meat
 onion

natural occurrence in :    note
 found in nature  

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