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1-Pentanethiol

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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
Mol File:
110-66-7.mol
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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)
refractive index 
n20/D 1.446(lit.)
FEMA 
4333 | 1-PENTANETHIOL
Flash point:
65 °F
storage temp. 
Store below +30°C.
solubility 
0.16g/l
pka
10.51±0.10(Predicted)
form 
liquid
color 
Water-white to yellow liquid
Odor
at 0.10 % in propylene glycol. sulfurous fatty roasted meaty vegetable
Odor Type
sulfurous
Odor Threshold
0.00000078ppm
Water Solubility 
practically insoluble
Sensitive 
Air Sensitive
JECFA Number
1662
Merck 
14,611
BRN 
1730979
Dielectric constant
4.5499999999999998
Exposure limits
NIOSH: Ceiling 0.5 ppm(2.1 mg/m3)
LogP
2.74
CAS DataBase Reference
110-66-7(CAS DataBase Reference)
NIST Chemistry Reference
1-Pentanethiol(110-66-7)
EPA Substance Registry System
Amyl mercaptan (110-66-7)
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Safety Information

Hazard Codes 
F,Xn
Risk Statements 
11-20/22-36/37/38
Safety Statements 
16-23-24/25-37/39-26
OEL
Ceiling: 0.5 ppm (2.1 mg/m3) [15-minute]
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 Data
110-66-7(Hazardous Substances Data)
Toxicity
LCLo ihl-rat: 2000 ppm/4H JIHTAB 31,343,49

MSDS

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1-Pentanethiol Usage And Synthesis

Chemical Properties

clear colorless liquid; meaty aroma. slightly soluble in water, easily soluble in alcohol and ether.

Uses

1-Pentanethiol is a raw material for organic synthesis. It is mainly used in the organic synthesis of sulfur compounds.

Uses

1-Pentanethiol can be used as additives for hair coloring agents.

Preparation

1-Pentanethiol is synthesized from n-pentyl alcohol and hydrogen sulfide catalyzed by thorium dioxide.

Definition

ChEBI: 1-Pentanethiol is an alkanethiol.

Aroma threshold values

High strength odor; recommend smelling in a 0.10% solution or less.

General Description

1-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 Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

1-Pentanethiol is incompatible with oxidizing agents, reducing agents, alkali metals, calcium hypochlorite, concentrated nitric acid .

Health Hazard

Inhalation may cause nausea because of offensive odor. Contact with eyes or skin causes slight irritation. Ingestion may cause vomiting.

Safety Profile

Moderately 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

Solubility in organics

Soluble in alcohol, perfume and flavor materials.

Purification Methods

Dissolve 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.]

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