| Identification | More | [Name]
1-Mercaptooctane | [CAS]
111-88-6 | [Synonyms]
1-MERCAPTOOCTANE
1-OCTANETHIOL
MERCAPTAN C8
NANOTHINKS(R) 8
N-CAPRYL MERCAPTAN
N-OCTYL MERCAPTAN
NOM(TM)
OCTYL MERCAPTAN
1-octylmercaptan
1-Octylthiol
2-methyl-2-hepthanethiol
n-Octanethiol
n-Octylthiol
Octane-1-thiol
Octanethiol-(1)
octanethiol(non-specificname)
octanethiolnormal
octylmercaptan(non-specificname)
octylmercaptannormal
Octylthiol | [EINECS(EC#)]
203-918-1 | [Molecular Formula]
C8H18S | [MDL Number]
MFCD00004912 | [Molecular Weight]
146.29 | [MOL File]
111-88-6.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [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.)
| [Fp ]
55 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
0.004g/l | [form ]
Liquid | [pka]
10.55±0.10(Predicted) | [color ]
Clear colorless | [Specific Gravity]
0.843 (20/4℃) | [Odor]
at 0.10?%?in?dipropylene glycol. sulfurous | [Stability:]
Stable. Incompatible with strong acids, strong oxidizing agents, alkali metals. | [Odor Threshold]
0.0016ppm | [Water Solubility ]
Not miscible in water. | [BRN ]
1733101 | [Exposure limits]
NIOSH: Ceiling 0.5 ppm(3.0 mg/m3) | [LogP]
4.21 at 20℃ | [CAS DataBase Reference]
111-88-6(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Octanethiol(111-88-6) | [EPA Substance Registry System]
111-88-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
F,N,Xn,Xi | [Risk Statements ]
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 Statements ]
S7:Keep container tightly closed .
S16:Keep away from sources of ignition-No smoking .
S57:Use appropriate container to avoid environmental contamination .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where 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 . | [RIDADR ]
UN 1170 3/PG 2
| [WGK Germany ]
3
| [Autoignition Temperature]
240 °C | [TSCA ]
Yes | [HazardClass ]
9 | [PackingGroup ]
III | [HS Code ]
29309070 | [Hazardous Substances Data]
111-88-6(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 2000 - 2450 mg/kg |
| Hazard Information | Back Directory | [General Description]
A clear colorless liquid. Flash point 115°F. Insoluble in water and less dense than water. Used to make other chemicals. | [Reactivity Profile]
2-METHYL-2-HEPTHANETHIOL(111-88-6) is incompatible with the following: Oxidizers, reducing agents, strong acids & bases, alkali metals . | [Air & Water Reactions]
Flammable. Insoluble in water. | [Health Hazard]
TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. | [Fire Hazard]
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion and poison hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. | [Chemical Properties]
colourless liquid | [Uses]
1-Octanethiol can be used to improve charge injection by creating a monolayer of this material on gold source-drain electrode surfaces for bottom-contact thin-film transistors (TFTs). | [Definition]
ChEBI: Octane-1-thiol is an alkanethiol that is octane substituted by a thiol group at position 1. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 37, p. 1532, 1972 DOI: 10.1021/jo00975a015
Synthetic Communications, 25, p. 2655, 1995 DOI: 10.1080/00397919508011812
Tetrahedron Letters, 31, p. 1397, 1990 DOI: 10.1016/S0040-4039(00)88815-2 | [Purification Methods]
Pass the thiol through a column of alumina and work under N2, or Ar. Distil it under N2 and a vacuum. Store it under N2, or Ar in the dark. [Battacharyya et al. J Chem Soc, Faraday Trans 1 82 135 1986, Fletcher J Am Chem Soc 68 2727 1946]. [Beilstein 1 III 1710, 1 IV 1767.] |
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