3-acetyl thioisobutyric acid, 33325-40-5

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CODE137638 CODE137638
Product(s):
33325-40-5 Captopril Impurity G > 95%
3-Acetylthio-2-methylpropionic acid is a key intermediate for Captopril and other hypertension drugs.

CAS Number:	33325-40-5	3D/inchi
Other(deleted CASRN):	74407-69-5
ECHA EINECS - REACH Pre-Reg:	251-458-5
FDA UNII:	R696CMV409
Nikkaji Web:	J319.527I
XlogP3-AA:	0.70 (est)
Molecular Weight:	162.20830000
Formula:	C6 H10 O3 S
BioActivity Summary:	listing
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:information only not used for fragrances or flavors

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	276.50 °C. @ 760.00 mm Hg (est)
Flash Point:	250.00 °F. TCC ( 121.00 °C. ) (est)
logP (o/w):	0.880 (est)
Soluble in:
	water, 7.763e+004 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

Captopril Impurity G > 95%

Odor: characteristic

Use: 3-Acetylthio-2-methylpropionic acid is a key intermediate for Captopril and other hypertension drugs.

Carbosynth

For experimental / research use only.

3-Acetylthio-2-methylpropanoic acid

Santa Cruz Biotechnology

For experimental / research use only.

3-Acetylthio-2-methylpropanoic Acid 98%

Safety Information:


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
information only not used for fragrances or flavors
Recommendation for 3-acetyl thioisobutyric acid usage levels up to:
	not for fragrance use.

Recommendation for 3-acetyl thioisobutyric acid flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):33325-40-5

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :118073

National Institute of Allergy and Infectious Diseases:Data

3-acetylsulfanyl-2-methylpropanoic acid

Chemidplus:0033325405

References:

	3-acetylsulfanyl-2-methylpropanoic acid
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	118073
Pubchem (sid):	135073637

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

not found in nature

Synonyms:

3-(	acetyl thio)-2-methyl propionic acid
3-	acetylsulfanyl-2-methylpropanoic acid
3-(	acetylthio)-2-methylpropanoic acid
(1)-3-(	acetylthio)-2-methylpropionic acid
3-(	acetylthio)-2-methylpropionic acid
3-	acetylthioisobutyric acid
D-beta-	acetylthioisobutyric acid
3-	mercapto-2-methyl propionic acid acetate
3-	mercapto-2-methylpropionic acid, acetate
2-	methyl-3-(acetyl thio) propionic acid
2-	methyl-3-(acetylthio)propionic acid
	propanoic acid, 3-(acetylthio)-2-methyl-

Articles:

PubMed:Stereoselective esterase from Pseudomonas putida IFO12996 reveals alpha/beta hydrolase folds for D-beta-acetylthioisobutyric acid synthesis.

PubMed:Enzymatic preparation of D-beta-acetylthioisobutyric acid and cetraxate hydrochloride using a stereo- and/or regioselective hydrolase, 3,4-dihydrocoumarin hydrolase from Acinetobacter calcoaceticus.

PubMed:Cloning and expression of Pseudomonas putida esterase gene in Escherichia coli and its use in enzymatic production of D-beta-acetylthioisobutyric acid.

Notes:

None found

3-acetyl thioisobutyric acid 3-acetylsulfanyl-2-methylpropanoic acid

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Articles:

3-acetyl thioisobutyric acid
3-acetylsulfanyl-2-methylpropanoic acid