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112-55-0

Name 1-Dodecanethiol
CAS 112-55-0
EINECS(EC#) 203-984-1
Molecular Formula C12H26S
MDL Number MFCD00004885
Molecular Weight 202.4
MOL File 112-55-0.mol

Chemical Properties

Appearance clear liquid
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)
FEMA  4581 | DODECANETHIOL
refractive index  n20/D 1.459(lit.)
Fp  >230 °F
storage temp.  Store below +30°C.
solubility  Chloroform (Sparingly), Methanol (Slightly)
form  Liquid
pka 10.49±0.10(Predicted)
color  Clear
Odor Stench
Odor Type sulfurous
Water Solubility  IMMISCIBLE
Sensitive  Air Sensitive
λmax 205nm(lit.)
JECFA Number 1924
BRN  969337
Exposure limits ACGIH: TWA 0.1 ppm
NIOSH: Ceiling 0.5 ppm(4.1 mg/m3)
Stability: Air Sensitive
InChIKey WNAHIZMDSQCWRP-UHFFFAOYSA-N
LogP 6.18
CAS DataBase Reference 112-55-0(CAS DataBase Reference)
NIST Chemistry Reference 1-Dodecanethiol(112-55-0)
EPA Substance Registry System 112-55-0(EPA Substance)

Safety Data

Hazard Codes  Xn,Xi,N,F
Risk Statements 
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R42/43:May cause sensitization by inhalation and skin contact .
R36/37/38:Irritating to eyes, respiratory system and skin .
R67:Vapors may cause drowsiness and dizziness.
R65:Harmful: May cause lung damage if swallowed.
R62:Possible risk of impaired fertility.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R48/20:Harmful: danger of serious damage to health by prolonged exposure through inhalation .
R38:Irritating to the skin.
R11:Highly Flammable.
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
S63:In case of accident by inhalation, remove casualty to fresh air and keep at rest.
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37:Wear suitable protective clothing and gloves .
S33:Take precautionary measures against static discharges .
S29:Do not empty into drains .
S16:Keep away from sources of ignition-No smoking .
S9:Keep container in a well-ventilated place .
RIDADR  UN 1208 3/PG 2
WGK Germany  3
RTECS  JR3155000
Autoignition Temperature 230 °C
TSCA  Yes
HazardClass  8
PackingGroup  III
HS Code  29309070
Hazardous Substances Data 112-55-0(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: > 2000 mg/kg

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Hazard Information

Material Safety Data Sheet(MSDS)

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