threo-alpha-methyl isocitrate, 6061-95-6

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CODE148956 CODE148956
Product(s):
6061-95-6 3-hydroxybutane-1,2,3-tricarboxylic acid

Name:	3-hydroxybutane-1,2,3-tricarboxylic acid
CAS Number:	6061-95-6	3D/inchi
FDA UNII:	8518EC1Z2E
XlogP3-AA:	-1.60 (est)
Molecular Weight:	206.15110000
Formula:	C7 H10 O7
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:	330.98 °C. @ 760.00 mm Hg (est)
Flash Point:	335.00 °F. TCC ( 168.20 °C. ) (est)
logP (o/w):	-0.993 (est)
Soluble in:
	water, 1e+006 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.

3-hydroxybutane-1,2,3-tricarboxylic acid

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 threo-alpha-methyl isocitrate usage levels up to:
	not for fragrance use.

Recommendation for threo-alpha-methyl isocitrate flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :513

National Institute of Allergy and Infectious Diseases:Data

3-hydroxybutane-1,2,3-tricarboxylic acid

Chemidplus:0006061956

References:

	3-hydroxybutane-1,2,3-tricarboxylic acid
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	513
Pubchem (sid):	135229097

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):	HMDB06471
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

not found in nature

Synonyms:

1,2,3-	butanetricarboxylic acid, 3-hydroxy-
3-	carboxy-2,3-dideoxy-4-C-methylpentaric acid
3-	hydroxy-1,2,3-butane tricarboxylate
3-	hydroxy-1,2,3-butanetricarboxylate
3-	hydroxybutane-1,2,3-tricarboxylic acid
alpha-	methylisocitrate
DL-threo-alpha-	methylisocitrate
threo-alpha-	methylisocitrate

Articles:

PubMed:In vitro conversion of propionate to pyruvate by Salmonella enterica enzymes: 2-methylcitrate dehydratase (PrpD) and aconitase Enzymes catalyze the conversion of 2-methylcitrate to 2-methylisocitrate.

PubMed:Salmonella typhimurium LT2 catabolizes propionate via the 2-methylcitric acid cycle.

PubMed:Steric and conformational features of the aconitase mechanism.

PubMed:pH profiles and isotope effects for aconitases from Saccharomycopsis lipolytica, beef heart, and beef liver. alpha-Methyl-cis-aconitate and threo-Ds-alpha-methylisocitrate as substrates.

PubMed:NADP-specific isocitrate dehydrogenase in regulation of urea synthesis in rat hepatocytes.

PubMed:Activities of NAD-specific and NADP-specific isocitrate dehydrogenases in rat-liver mitochondria. Studies with D-threo-alpha-methylisocitrate.

PubMed:Identification of D-threo-alpha-methylisocitrate as stereochemically specific substrate for bovine heart aconitase and inhibitor of TPN-linked isocitrate dehydrogenase.

PubMed:Alpha-methylisocitrate. A selective inhibitor of TPN-linked isocitrate dehydrogenase from bovine heart and rat liver.

Notes:

None found

threo-alpha-methyl isocitrate 1,2,3-butanetricarboxylic acid, 3-hydroxy-

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Articles:

threo-alpha-methyl isocitrate
1,2,3-butanetricarboxylic acid, 3-hydroxy-