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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)
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
form  liquid
pka 10.51±0.10(Predicted)
color  Water-white to yellow liquid
Odor at 0.10 % in propylene glycol. sulfurous fatty roasted meaty vegetable
Odor Type sulfurous
biological source synthetic
Odor Threshold 0.00000078ppm
Water Solubility  practically insoluble
Sensitive  Air Sensitive
Merck  14,611
JECFA Number 1662
BRN  1730979
Henry's Law Constant 8.7×10-4 mol/(m3Pa) at 25℃, Plyasunova et al. (2004)
Dielectric constant 4.5499999999999998
Exposure limits NIOSH: Ceiling 0.5 ppm(2.1 mg/m3)
Major Application flavors and fragrances
InChI 1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey ZRKMQKLGEQPLNS-UHFFFAOYSA-N
SMILES CCCCCS
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 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
WGK Germany  3
RTECS  SA3150000
9-13-23
TSCA  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  29309090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 2
Hazardous Substances Data 110-66-7(Hazardous Substances Data)
Toxicity LCLo ihl-rat: 2000 ppm/4H JIHTAB 31,343,49

MSDS

Usage And Synthesis

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