1-Dodecanethiol Structure

1-Dodecanethiol

Chemical Properties

Melting point -7 °C
Boiling point 266-283 °C(lit.)
Density  0.845 g/mL at 25 °C(lit.)
vapor density  7 (vs air)
vapor pressure  0.002 hPa (20 °C)
refractive index  n20/D 1.459(lit.)
FEMA  4581 | DODECANETHIOL
Flash point >230 °F
storage temp.  Store below +30°C.
solubility  Chloroform (Sparingly), Methanol (Slightly)
pka 10.49±0.10(Predicted)
form  Liquid
color  Clear
Odor Stench
Odor Type sulfurous
Water Solubility  IMMISCIBLE
Sensitive  Air Sensitive
λmax 205nm(lit.)
JECFA Number 1924
BRN  969337
Henry's Law Constant 5.3×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)
Exposure limits ACGIH: TWA 0.1 ppm
NIOSH: Ceiling 0.5 ppm(4.1 mg/m3)
Stability Air Sensitive
InChI 1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKey WNAHIZMDSQCWRP-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCS
LogP 6.18
Indirect Additives used in Food Contact Substances N-DODECYLMERCAPTAN
Substances Added to Food (formerly EAFUS) N-DODECYLMERCAPTAN
CAS DataBase Reference 112-55-0(CAS DataBase Reference)
EWG's Food Scores 4
FDA UNII S8ZJB6X253
NIST Chemistry Reference 1-Dodecanethiol(112-55-0)
EPA Substance Registry System Dodecyl mercaptan (112-55-0)
UNSPSC Code 12352105
NACRES NA.23

Safety

Symbol(GHS) GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
Signal wordDanger
Hazard statements H314-H317-H410
Precautionary statements P261-P272-P273-P280-P303+P361+P353-P305+P351+P338
Hazard Codes  Xn,Xi,N,F,C
Risk Statements  37/38-41-42/43-36/37/38-67-65-62-51/53-48/20-38-11-50/53-34
Safety Statements  23-26-36/37/39-45-37/39-63-62-61-36/37-33-29-16-9-60
RIDADR  UN 1208 3/PG 2
OEL Ceiling: 0.5 ppm (4.1 mg/m3) [15-minute]
WGK Germany  3
RTECS  JR3155000
Autoignition Temperature 230 °C
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  29309070
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1C
Skin Sens. 1A
Hazardous Substances Data 112-55-0(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: > 2000 mg/kg
NFPA 704:
1
2 0

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