1-Mercaptooctane Structure

1-Mercaptooctane

Chemical Properties

Melting point -49 °C
Boiling point 197-200 °C (lit.)
Density  0.843 g/mL at 25 °C (lit.)
vapor pressure  0.3 hPa (20 °C)
refractive index  n20/D 1.452(lit.)
Flash point 55 °F
storage temp.  Store below +30°C.
solubility  0.004g/l
pka 10.55±0.10(Predicted)
form  Liquid
color  Clear colorless
Specific Gravity 0.843 (20/4℃)
Odor at 0.10%indipropylene glycol. sulfurous
Odor Threshold 0.0016ppm
Water Solubility  Not miscible in water.
BRN  1733101
Henry's Law Constant 7.1×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)
Exposure limits NIOSH: Ceiling 0.5 ppm(3.0 mg/m3)
Stability Stable. Incompatible with strong acids, strong oxidizing agents, alkali metals.
InChI 1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChIKey KZCOBXFFBQJQHH-UHFFFAOYSA-N
SMILES CCCCCCCCS
LogP 4.21 at 20℃
CAS DataBase Reference 111-88-6(CAS DataBase Reference)
FDA UNII 42GO2PA46L
NIST Chemistry Reference 1-Octanethiol(111-88-6)
EPA Substance Registry System 1-Octanethiol (111-88-6)
UNSPSC Code 12352105
NACRES NA.23

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
Signal wordWarning
Hazard statements H302+H312-H315-H319-H371-H373-H317-H335-H336-H410-H226
Precautionary statements P501-P273-P272-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P337+P313-P305+P351+P338-P308+P311-P362+P364-P303+P361+P353-P333+P313-P301+P312+P330-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  F,N,Xn,Xi
Risk Statements  11-67-65-50/53-43-36/37-20-36/37/38
Safety Statements  7-16-57-45-36/37/39-29-26
OEL Ceiling: 0.5 ppm (3.0 mg/m3) [15-minute]
RIDADR  UN 1170 3/PG 2
WGK Germany  3
Autoignition Temperature 240 °C
TSCA  TSCA listed
HazardClass  9
PackingGroup  III
HS Code  29309070
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Skin Sens. 1
STOT SE 3
Hazardous Substances Data 111-88-6(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 2000 - 2450 mg/kg
NFPA 704:
2
2 1

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1-Mercaptooctane Chemical Properties,Usage,Production

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