asparagusic acid

1,2-dithiolane-4-carboxylic acid

CAS: 2224-02-4 C4 H6 O2 S2 MW: 150.22022000

Identification

Nameasparagusic acid
CAS Number2224-02-4
FDA UNIIVAD3XV509R
Molecular FormulaC4 H6 O2 S2
Molecular Weight150.22022000
MDL NumberMFCD01729684
Nikkaji NumberJ13.270E
Beilstein0112178

Regulatory

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)

No sensory data available

Safety Information

Oral/Parenteral Toxicityintraperitoneal-mouse LD50 27 mg/kg
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

Categorynatural substances and extractives
Recommendation for asparagusic acid usage levels up tonot for fragrance use.
Recommendation for asparagusic acid flavor usage levels up tonot for flavor use.

No supplier data available

Potential Uses

None Found

Natural Occurrence

asparagus cooked asparagus asparagus shoot

Synonyms

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