4-methoxy-2-methyl butane thiol

4-methoxy-2-methyl-2-butanethiol

CAS: 94087-83-9 C6 H14 O S MW: 134.24178000 sulfurous sulfurous

Identification

Name4-methoxy-2-methyl butane thiol
IUPAC4-methoxy-2-methylbutane-2-thiol
CAS Number94087-83-9
EINECS301-977-9
FDA UNIIX72J2YFL9Y
Molecular FormulaC6 H14 O S
Molecular Weight134.24178000
Nikkaji NumberJ368.082G
CoE Number12145

Regulatory

JECFA Food Flavoring548 4-methoxy-2-methyl-2-butanethiol
DG SANTE Food Flavourings12.145 4-methoxy-2-methylbutane-2-thiol
FEMA Number3785
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)94087-83-9 ; 4-METHOXY-2-METHYL-2-BUTANETHIOL

Physical Properties

Appearance colorless to pale yellow clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.90700 to 0.92300 @ 25.00 °C.
Pounds per Gallon - (est). 7.547 to 7.680
Refractive Index 1.44500 to 1.45500 @ 20.00 °C.
Boiling Point 159.00 to 160.00 °C. @ 760.00 mm Hg
Vapor Pressure 3.305000 mmHg @ 25.00 °C. (est)
Flash Point 120.00 °F. TCC ( 48.89 °C. )
logP (o/w) 1.825 (est)
Soluble in alcohol

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description
at 0.10 % in triacetin.
at 0.10 % in propylene glycol.
blackcurrant; characteristic sulphur note of blackcurrant
Taste Description
at 0.10 - 0.40 ppm.
black currant

Safety Information

European informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
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

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for 4-methoxy-2-methyl butane thiol usage levels up to0.0100 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)0.80 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)7 (μg/person/day)
Threshold of Concern90 (μg/person/day)
Structure ClassIII
baked goods-
beverages(nonalcoholic)0.01000
beverages(alcoholic)0.01000
breakfast cereal-
cheese-
chewing gum0.02000
condiments / relishes-
confectionery froastings0.00100
egg products-
fats / oils-
fish products0.00100
frozen dairy0.00010
fruit ices0.02000
gelatins / puddings0.00010
granulated sugar-
gravies0.02000
hard candy0.02000
imitation dairy0.00010
instant coffee / tea0.00100
jams / jellies0.00100
meat products0.02000
milk products0.00100
nut products-
other grains-
poultry0.00100
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors0.00100
snack foods-
soft candy0.02000
soups-
sugar substitutes-
sweet sauces0.00100
Dairy products, excluding products of category 02.0 (01.0)0.00100
Fats and oils, and fat emulsions (type water-in-oil) (02.0)-
Edible ices, including sherbet and sorbet (03.0)0.02000
Processed fruit (04.1)-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)0.01000
Confectionery (05.0)0.02000
Chewing gum (05.3)0.02000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.00010
Bakery wares (07.0)0.00010
Meat and meat products, including poultry and game (08.0)0.02000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)0.00100
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.02000
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.01000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)0.01000
Ready-to-eat savouries (15.0)-
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)-

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R C Treatt and Co Ltd

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World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.

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Potential Uses

FL apricot FL buchu leaf FL chocolate cocoa FL currant black currant FL fruit tropical fruit FL grapefruit FL mango FL meat FR passion fruit FL peach

Natural Occurrence

currant black currant fruit olive oil virgin tea green tea

Synonyms

blackcurrant mercaptan butane-2-thiol, 4-methoxy-2-methyl- 2- butanethiol, 4-methoxy-2-methyl- cassis ketone black currant mercaptan methoxy methylbutanethiol 4- methoxy-2-methyl butane thiol 4- methoxy-2-methyl butane-2-thiol 4- methoxy-2-methyl-2-butane thiol 4- methoxy-2-methyl-2-butanethiol 4- methoxy-2-methyl-2-butanethiol 1% in P.G. 4- methoxy-2-methyl-2-mercaptobutane 4- methoxy-2-methylbutane-2-thiol 4- methoxy-4-methylbutane-2-thiol methoxymethyl butane thiol methoxymethylbutanethiol 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: Influence of volatile thiols in the development of blackcurrant aroma in red wine. PubMed: Improvement of the cystine measurement in granulocytes by liquid chromatograhy-tandem mass spectrometry. PubMed: Antioxidant activity of black currant (Ribes nigrum L.) extract and its inhibitory effect on lipid and protein oxidation of pork patties during chilled storage. PubMed: Identification of novel aroma-active thiols in pan-roasted white sesame seeds. PubMed: Comparison of 4-Mercapto-4-methylpentan-2-one contents in hop cultivars from different growing regions. PubMed: Engineering volatile thiol release in Saccharomyces cerevisiae for improved wine aroma. PubMed: Characterization of a cDNA encoding metallothionein 3 from cotton (Gossypium hirsutum L.). PubMed: Late-onset form of beta-electron transfer flavoprotein deficiency. PubMed: High activity of human butyrylcholinesterase at low pH in the presence of excess butyrylthiocholine. PubMed: Chromatin condensation, cysteine-rich protamine, and establishment of disulphide interprotamine bonds during spermiogenesis of Eledone cirrhosa (Cephalopoda). PubMed: Substrate activation in acetylcholinesterase induced by low pH or mutation in the pi-cation subsite. PubMed: Evaluation of key aroma compounds in hand-squeezed grapefruit juice (Citrus paradisi Macfayden) by quantitation and flavor reconstitution experiments. PubMed: Identification of potent odorants in Japanese green tea (Sen-cha). PubMed: Pyroglutamic aciduria and nephropathic cystinosis.