1-Pentanethiol

1-Pentanethiol Basic information
Product Name:1-Pentanethiol
Synonyms:N-PENTYL MERCAPTAN;PENTYL MERCAPTAN;N-AMYL MERCAPTAN;1-Mercaptopentane;1-Pentanthiol;Amyl thioalcohol;amylmercaptan(non-specificname);amylmercaptannormal
CAS:110-66-7
MF:C5H12S
MW:104.21
EINECS:203-789-1
Product Categories:
Mol File:110-66-7.mol
1-Pentanethiol Structure
1-Pentanethiol Chemical Properties
Melting point -76°C
Boiling point 126 °C (lit.)
density 0.84 g/mL at 25 °C (lit.)
vapor density 3.59
vapor pressure 27.4 mm Hg ( 37.7 °C)
FEMA 4333 | 1-PENTANETHIOL
refractive index n20/D 1.446(lit.)
Fp 65 °F
storage temp. Store below +30°C.
solubility 0.16g/l
pka10.51±0.10(Predicted)
form liquid
color Water-white to yellow liquid
Odorat 0.10 % in propylene glycol. sulfurous fatty roasted meaty vegetable
Odor Threshold0.00000078ppm
Odor Typesulfurous
Water Solubility practically insoluble
Sensitive Air Sensitive
JECFA Number1662
Merck 14,611
BRN 1730979
Exposure limitsNIOSH: Ceiling 0.5 ppm(2.1 mg/m3)
LogP2.74
CAS DataBase Reference110-66-7(CAS DataBase Reference)
NIST Chemistry Reference1-Pentanethiol(110-66-7)
EPA Substance Registry SystemAmyl mercaptan (110-66-7)
Safety Information
Hazard Codes F,Xn
Risk Statements 11-20/22-36/37/38
Safety Statements 16-23-24/25-37/39-26
RIDADR UN 1111 3/PG 2
WGK Germany 3
RTECS SA3150000
9-13-23
TSCA Yes
HazardClass 3
PackingGroup II
HS Code 29309090
Hazardous Substances Data110-66-7(Hazardous Substances Data)
ToxicityLCLo ihl-rat: 2000 ppm/4H JIHTAB 31,343,49
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
1-Pentanethiol Usage And Synthesis
Chemical Propertiesclear colorless liquid; meaty aroma. slightly soluble in water, easily soluble in alcohol and ether.
Uses1-Pentanethiol is a raw material for organic synthesis. It is mainly used in the organic synthesis of sulfur compounds.
Uses1-Pentanethiol can be used as additives for hair coloring agents.
Preparation1-Pentanethiol is synthesized from n-pentyl alcohol and hydrogen sulfide catalyzed by thorium dioxide.
DefinitionChEBI: 1-Pentanethiol is an alkanethiol.
Aroma threshold valuesHigh strength odor; recommend smelling in a 0.10% solution or less.
General Description1-Pentanethiol appears as a clear colorless to light-yellow liquid with an offensive odor. Flash point 65°F. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. May be toxic by inhalation.
Air & Water ReactionsHighly flammable. Insoluble in water.
Reactivity Profile1-Pentanethiol is incompatible with oxidizing agents, reducing agents, alkali metals, calcium hypochlorite, concentrated nitric acid .
Health HazardInhalation may cause nausea because of offensive odor. Contact with eyes or skin causes slight irritation. Ingestion may cause vomiting.
Safety ProfileModerately toxic by inhalation. A weak sensitizer and allergen. Local contact may cause contact dermatitis. A flammable liquid and dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidming materials. Hypergolic reaction with concentrated nitric acid. To fight fire, use foam, CO2, dry chemical. See also MERCAPTANS
Purification MethodsDissolve the thiol in aqueous 20% NaOH, then extract with a small amount of diethyl ether. The aqueous solution is acidified slightly with 15% H2SO4, and the thiol is distilled out, dried with CaSO4 or CaCl2, and fractionally distilled under nitrogen. [Ellis & Reid J Am Chem Soc 54 1674 1932, Beilstein 1 IV 1453.]
CYCLOHEXENE SULFIDE PYRITHIOXIN DIHYDROCHLORIDE 1,6-Hexanedithiol Sodium thiomethoxide 1-Pentanethiol Isoamyl nitrite Octadecanethiol 1,2-Ethanedithiol 1-Heptanethiol 1-Decanethiol 1-Nonanethiol PYRITHIOXIN 1-Mercaptooctane METHYL MERCAPTAN 1,5-Pentanedithiol Ethanethiol 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate 1-Dodecanethiol

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