3-(methyl thio) butyric acid

butanoic acid, 3-(methylthio)-

CAS: 16630-65-2 C5 H10 O2 S MW: 134.19810000

Identification

Name	3-(methyl thio) butyric acid
IUPAC	3-methylsulfanylbutanoic acid
CAS Number	16630-65-2
EINECS	240-682-9
FDA UNII	Search
Molecular Formula	C5 H10 O2 S
Molecular Weight	134.19810000
Nikkaji Number	J318.270C

Regulatory

DG SANTE Food Flavourings

12.178 3-(methylthio)butyric acid

Physical Properties

Appearance	colorless to pale yellow clear liquid (est)
Assay	95.00 to 100.00
Food Chemicals Codex Listed	No
Specific Gravity	1.10200 to 1.10800 @ 25.00 °C.
Pounds per Gallon - (est).	9.170 to 9.220
Refractive Index	1.47900 to 1.48600 @ 20.00 °C.
Boiling Point	244.00 to 246.00 °C. @ 760.00 mm Hg
Vapor Pressure	0.010000 mmHg @ 25.00 °C. (est)
Flash Point	215.00 °F. TCC ( 101.67 °C. )
logP (o/w)	0.811 (est)
Soluble in	alcohol
Insoluble in	water

No sensory data available

Safety Information

Oral/Parenteral Toxicity	Not determined
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 3-(methyl thio) butyric acid usage levels up to	not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)	0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)	160 (μg/person/day)
Threshold of Concern	1800 (μg/person/day)
Structure Class	I
Dairy products, excluding products of category 02.0 (01.0)	0.40000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)	0.20000
Edible ices, including sherbet and sorbet (03.0)	0.40000
Processed fruit (04.1)	0.30000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)	-
Confectionery (05.0)	0.40000
Chewing gum (05.3)	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)	0.20000
Bakery wares (07.0)	0.40000
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)	0.20000
Foodstuffs intended for particular nutritional uses (13.0)	0.40000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)	0.20000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)	0.40000
Ready-to-eat savouries (15.0)	1.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)	0.20000

Chemical sources Association Inc

Exchange of knowledge

Need This Item for Flavor? You can contact the Chemical Sources Association.

View All Website

Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

butanoic acid, 3-(methylthio)- 3-( methyl thio) butanoic acid 3-( methylsulfanyl)butanoic acid 3- methylsulfanylbutanoic acid 3-( methylthio)butanoic acid 3-( methylthio)butyric acid Try the PubMed Search.