Basic information
- CAS
763-20-2- Standard SMILES
CCCCCC(C)(C)S- InChIKey
KSTAKRCVPORMCA-UHFFFAOYSA-N- Molecular formula
- C8H18S
- Average molar mass
- 146.3 g/mol
- Monoisotopic mass
- 146.11292175
Overview
2-methyl-2-heptanethiol appears as a straw-colored liquid with a strong, obnoxious odor. Lethal by inhalation of even small amounts of vapor. Lethal by skin absorption. Skin and eye irritant. Decomposes at high temperatures to form toxic sulfur oxides and flammable hydrogen sulfide. Less dense than water. Used as a lubricant additive and in polymer modification.
Names & identifiers
- Preferred name
- 2-Methyl-2-heptanethiol
- IUPAC
- 2-methylheptane-2-thiol
- English name
- 2-methylheptane-2-thiol
- Molecular formula
- C8H18S
- Molecular weight
- 146.29
Names & synonyms
2-Methyl-2-heptanethiol2-Heptanethiol, 2-methyl-763-20-22-Methyl-2-heptylmercaptanDTXSID90752902-METHYL-2-HEPTYL MERCAPTAN2Methyl2heptylmercaptan2Heptanethiol, 2methylRefChem:475165DTXCID60478662-methylheptane-2-thiol2-Heptanethiol,2-methyl-
Show more names
1,1-Dimethyl-1-hexanethiol1,1-Dimethylhexyl thioalcohol
SWR39B4RNKUNII-SWR39B4RNK2-Methyl-2-heptanethiol [UN3023] [Poison]SCHEMBL316016SCHEMBL367042SCHEMBL33392671,1-Dimethylhexyl hydrosulfide #Q19903065
Database identifiers
- CAS
763-20-2- PubChem CID
- 69810
- DTXSID
DTXSID9075290- UNII
- SWR39B4RNK
- Nikkaji
- J121.764J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 67
Experimental & physicochemical properties
Chemical ClassesToxic Gases & Vapors -> Other Toxic Gases & Vapors
Flash Point115 °F [CAMEO]
Physical Description
2-methyl-2-heptanethiol appears as a straw-colored liquid with a strong, obnoxious odor. Lethal by inhalation of even small amounts of vapor. Lethal by skin absorption. Skin and eye irritant. Decomposes at high temperatures to form toxic sulfur oxides and flammable hydrogen sulfide. Less dense than water. Used as a lubricant additive and in polymer modification.
Yellow liquid with an obnoxious odor; [CAMEO]
Physicochemical properties
- Melting point
- -70.34 °C · -70.34°C (estimate)
- Boiling point
- 195.97 °C · 195.97°C (estimate)
- Density
- 0.8489 · 0.8489 (estimate)
- refractive index
- 1.4371 · 1.4371 (estimate)
- pka
- 11.42 · 11.42±0.10(Predicted)
- FDA UNII
- 39 B4RNK · SWR39B4RNK
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards IdentificationToxic/poison by inhalation (TIH/PIH)
DOT LabelPoison Inhalation Hazard Flammable Liquid
Fire Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.
Hazards SummaryHighly toxic by inhalation or skin absorption; Irritating to the skin and eyes; Decomposes in heat to release sulfur oxides and flammable hydrogen sulfide; [CAMEO] See THIOLS.
DOT ID and Guide3023 131
Reactive GroupSulfides, Organic
Reactivity Profile
Organosulfides, such as 2-METHYL-2-HEPTANETHIOL, are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid.
DOT Hazard Classification
2-Methyl-2-heptanethiol
UN3023
Div 6.1 Poisonous materials (49 eCFR § 173.132)
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG I: the degree of danger presented by the material is great
Air and Water Reactions
Chemistry & industry
Uses & manufacturing
UsesUsed as a lubricant additive and a polymer modifier; [CAMEO]
Applications
General DescriptionA straw-colored liquid with a strong, obnoxious odor. Lethal by inhalation of even small amounts of vapor. Lethal by skin absorption. Skin and eye irritant. Decomposes at high temperatures to form toxic sulfur oxides and flammable hydrogen sulfide. Less dense than water. Flash point 115°F. Used as a lubricant additive and in polymer modification.
Suppliers2 total
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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