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asparagusic acid
1,2-dithiolane-4-carboxylic acid

Supplier Sponsors

CAS Number:	2224-02-4	3D/inchi
FDA UNII:	VAD3XV509R
Nikkaji Web:	J13.270E
Beilstein Number:	0112178
MDL:	MFCD01729684
XlogP3-AA:	0.20 (est)
Molecular Weight:	150.22022000
Formula:	C4 H6 O2 S2
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

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:	232.00 to 234.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	0.000051 mmHg @ 25.00 °C. (est)
Flash Point:	301.00 °F. TCC ( 149.70 °C. ) (est)
logP (o/w):	1.480 (est)
Soluble in:
	water, 1.123e+004 mg/L @ 25 °C (est)

Organoleptic Properties:

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

Cosmetic Information:

None found

Suppliers:

None found

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:
intraperitoneal-mouse LD50 27 mg/kg Biochemical Pharmacology. Vol. 11, Pg. 453, 1962.
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
natural substances and extractives
Recommendation for asparagusic acid usage levels up to:
	not for fragrance use.

Recommendation for asparagusic 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 ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :16682

National Institute of Allergy and Infectious Diseases:Data

dithiolane-4-carboxylic acid

Chemidplus:0002224024

References:

	dithiolane-4-carboxylic acid
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	16682
Pubchem (sid):	134983185

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
CHEBI:	View
KEGG (GenomeNet):	C01892
HMDB (The Human Metabolome Database):	HMDB29611
FooDB:	FDB000778
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

	asparagus cooked asparagus Search Trop Picture
	asparagus shoot Search Trop Picture

Synonyms:

	dithiolane-4-carboxylic acid
1,2-	dithiolane-4-carboxylic acid

Articles:

PubMed:Asparagusic acid.

PubMed:Asparagus, urinary odor, and 1,2-dithiolane-4-carboxylic acid.

PubMed:Comparison of lipoic and asparagusic acid for surface-initiated disulfide-exchange polymerization.

PubMed:Photoresponsive SAMs on gold fabricated from azobenzene-functionalised asparagusic acid derivatives.

PubMed:Exploring the interest of 1,2-dithiolane ring system in peptide chemistry. Synthesis of a chemotactic tripeptide and x-ray crystal structure of a 4-amino-1,2-dithiolane-4-carboxylic acid derivative.

PubMed:Dihydroasparagusic acid: antioxidant and tyrosinase inhibitory activities and improved synthesis.

PubMed:Peptides containing 4-amino-1,2-dithiolane-4-carboxylic acid (Adt): conformation of Boc-Adt-Adt-NHMe and NH...S interactions.

PubMed:Peptide backbone folding induced by the C(alpha)-tetrasubstituted cyclic alpha-amino acids 4-amino-1,2-dithiolane-4-carboxylic acid (Adt) and 1-aminocyclopentane-1-carboxylic acid (Ac5c). A joint computational and experimental study.

PubMed:4-Amino-1,2-dithiolane-4-carboxylic acid (Adt) as cysteine conformationally restricted analogue. Synthetic protocol for Adt containing peptides.

PubMed:Preparation and determination of asparagusic acid.

PubMed:Peptide flatlandia: a new-concept peptide for positioning of electroactive probes in proximity to a metal surface.

PubMed:Multistep organic synthesis of modular photosystems.

PubMed:Identification of Sensory-Active Phytochemicals in Asparagus (Asparagus officinalis L.).

PubMed:Investigation of amino acid containing [FeFe] hydrogenase models concerning pendant base effects.

PubMed:Constituents of Asparagus officinalis evaluated for inhibitory activity against cyclooxygenase-2.

PubMed:Asparagusate dehydrogenases and lipoyl dehydrogenase from asparagus mitochondria.

PubMed:The chemical nature of the urinary odour produced by man after asparagus ingestion.

Notes:

Isol. from asparagus (Asparagus officinalis) [DFC] Asparagusic acid is an organosulfur carboxylic acid present in the vegetable asparagus and may be the metabolic precursor to other odorous thiol compounds. Biosynthetic studies revealed that asparagusic acid is derived from isobutyric acid. [Wikipedia]

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