2-butane thiol

2-butanethiol

CAS: 513-53-1 C4 H10 S MW: 90.18870000

Identification

Name2-butane thiol
IUPACbutane-2-thiol
CAS Number513-53-1
EINECS208-165-2
FDA UNIIY2D731QBYN
Molecular FormulaC4 H10 S
Molecular Weight90.18870000
MDL NumberMFCD00004865
Nikkaji NumberJ2.622K
Beilstein1718766

Regulatory

DG SANTE Food Flavourings12.104 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 SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicitygavage-rat LD50 5176 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for 2-butane thiol usage levels up tonot 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 Concern1800 (μg/person/day)
Structure ClassI
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.

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View All Website 86-10-68418738 jiayanyong@lyschem.com

Penta International Corporation

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At Penta, our products and services help businesses do business better.

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Synerzine, Inc.

Innovation. Customization. Aroma Ingredients.

Synerzine is a leading supplier of flavor and fragrance ingredients.

View All Website (404) 524-6744 info@synerzine.com

TCI AMERICA

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We continuously strive to advance our technology.

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Potential Uses

None Found

Natural Occurrence

beer - up to 0.0002 mg/kg PMC

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.