2-butane thiol
2-butanethiol
Identification
| Name | 2-butane thiol |
| IUPAC | butane-2-thiol |
| CAS Number | 513-53-1 |
| EINECS | 208-165-2 |
| FDA UNII | Y2D731QBYN |
| Molecular Formula | C4 H10 S |
| Molecular Weight | 90.18870000 |
| MDL Number | MFCD00004865 |
| Nikkaji Number | J2.622K |
| Beilstein | 1718766 |
Regulatory
| DG SANTE Food Flavourings | 12.104 butane-2-thiol |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.82600 to 0.83200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.873 to 6.923 |
| Refractive Index | 1.43100 to 1.43700 @ 20.00 °C. |
| Boiling Point | 84.60 to 85.20 °C. @ 760.00 mm Hg |
| Vapor Pressure | 80.700000 mmHg @ 25.00 °C. |
| Flash Point | 70.00 °F. TCC ( 21.11 °C. ) |
| logP (o/w) | 2.180 |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | sulfurous |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 5176 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 2-butane thiol usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.18 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 78 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| Dairy products, excluding products of category 02.0 (01.0) | 0.20000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.10000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.20000 |
| Processed fruit (04.1) | 0.20000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 0.20000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.10000 |
| Bakery wares (07.0) | 0.20000 |
| Meat and meat products, including poultry and game (08.0) | 0.10000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.10000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.10000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 0.20000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.10000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.20000 |
| Ready-to-eat savouries (15.0) | 0.40000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.10000 |
Beijing Lys Chemicals Co, LTD.
From Grams to Tons
Fine chemical high-tech company which contains R&D, production, and sales.
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Synerzine, Inc.
Innovation. Customization. Aroma Ingredients.
Synerzine is a leading supplier of flavor and fragrance ingredients.
Potential Uses
Natural Occurrence
Synonyms
sec-
butane thiol
butane-2-thiol
2-
butanethiol
sec-
butanethiol
2-
butyl mercaptan
sec-
butyl mercaptan
sec-
butyl thioalcohol
sec-
butyl thiol
mercaptan C4
2-
mercaptobutane
1-
methyl-1-propane thiol
1-
methyl-1-propanethiol
PubMed:
Intermixed adatom and surface-bound adsorbates in regular self-assembled monolayers of racemic 2-butanethiol on Au(111).
PubMed:
Specific inhibition of sclerotium formation by 2-mercaptoethanol and related sulfhydryl compounds in Sclerotium rolfsii.
PubMed:
A phase IB trial of 24-hour intravenous PX-12, a thioredoxin-1 inhibitor, in patients with advanced gastrointestinal cancers.
PubMed:
Controlling the stereochemistry and regularity of butanethiol self-assembled monolayers on au(111).
PubMed:
Determination of volatile thiols in virgin olive oil by derivatisation and LC-HRMS, and relation with sensory attributes.
PubMed:
Determination of volatile thiols in lipid matrix by simultaneous derivatization/extraction and liquid chromatography-high resolution mass spectrometric analysis. Application to virgin olive oil.
PubMed:
Peripheral ligand-binding site in cytochrome P450 3A4 located with fluorescence resonance energy transfer (FRET).
PubMed:
New factor characterizing the in-mouth release of odorants (volatile thiols): compositional changes in odorants exhaled from the human nose during drinking.
PubMed:
Identification of potent odorants in Japanese green tea (Sen-cha).
PubMed:
A gas chromatography-quartz crystal microbalance for speciation of sulfur compounds in landfill gas.
PubMed:
Preparation, radiolabeling and biodistribution of a new class of bisaminothiol (BAT) ligands as possible imaging agents.
PubMed:
Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene.
PubMed:
A Phase I pharmacokinetic and pharmacodynamic study of PX-12, a novel inhibitor of thioredoxin-1, in patients with advanced solid tumors.