1-Octanethiol(CAS#111-88-6)

Name	1-Octanethiol
Synonyms	n-Octyl m n-Octylthiol 1-Octanethiol n-Octanethiol octane-1-thiol Octane-1-thiol Octanethiol-(1) octanethiolnormal 2-methyl-2-hepthanethiol octanethiol(non-specificname) octylmercaptan(non-specificname) 1-Octanethiol, (1-Mercaptooctane 1-Mercaptooctane~n-Octyl mercaptan
CAS	111-88-6
EINECS	203-918-1
InChI	InChI=1/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

Molecular Formula	C8H18S
Molar Mass	146.29
Density	0.843 g/mL at 25 °C (lit.)
Melting Point	-49 °C
Boling Point	197-200 °C (lit.)
Flash Point	55°F
Water Solubility	Not miscible in water.
Solubility	0.004g/l
Vapor Presure	0.3 hPa (20 °C)
Appearance	Liquid
Specific Gravity	0.843 (20/4℃)
Color	Clear colorless
Exposure Limit	NIOSH: Ceiling 0.5 ppm(3.0 mg/m3)
BRN	1733101
pKa	10.55±0.10(Predicted)
Storage Condition	Store below +30°C.
Stability	Stable. Incompatible with strong acids, strong oxidizing agents, alkali metals.
Refractive Index	n20/D 1.452(lit.)
Physical and Chemical Properties	Colorless transparent liquid. Freezing point -49.2 °c. Boiling point 199.1 ℃,77-78 ℃(1.33kPa), relative density 0.8428(20/4 ℃), refractive index 1.4540, ignition point 85 ℃. Soluble in ethanol, ether, acetone and benzene, insoluble in water. Has the special odor of thiols.

Product Detail

Risk Codes	R11 – Highly Flammable R67 – Vapors may cause drowsiness and dizziness R65 – Harmful: May cause lung damage if swallowed R50/53 – Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R43 – May cause sensitization by skin contact R36/37 – Irritating to eyes and respiratory system. R20 – Harmful by inhalation R36/37/38 – Irritating to eyes, respiratory system and skin.
Safety Description	S7 – Keep container tightly closed. S16 – Keep away from sources of ignition. S57 – Use appropriate container to avoid environmental contamination. S45 – In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 – Wear suitable protective clothing, gloves and eye/face protection. S29 – Do not empty into drains. S26 – In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
UN IDs	UN 1170 3/PG 2
WGK Germany	3
TSCA	Yes
HS Code	29309070
Hazard Class	9
Packing Group	III
Toxicity	LD50 orally in Rabbit: 2000 – 2450 mg/kg