1-Pentanethiol Property

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

Merck 

14,611

JECFA Number

1662

BRN 

1730979

Exposure limits

NIOSH: Ceiling 0.5 ppm(2.1 mg/m3)

Dielectric constant

4.5499999999999998

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)

Safety

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

F 

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H225Highly Flammable liquid and vapour

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

1-Pentanethiol Chemical Properties,Usage,Production

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.]