CAS 19031-55-1|(2,2,5,5-2H4)Hexanedioic acid

Introduction：Basic information about CAS 19031-55-1|(2,2,5,5-2H4)Hexanedioic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. (2,2,5,5-2H4)Hexanedioic acid BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	(2,2,5,5-2H4)Hexanedioic acid
CAS Number	19031-55-1	Molecular Weight	150.166
Density	1.3±0.1 g/cm3	Boiling Point	338.5±15.0 °C at 760 mmHg
Molecular Formula	C₆H₆D₄O₄	Melting Point	151-154ºC(lit.)
MSDS	ChineseUSA	Flash Point	196.1±0.0 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	2,2,5,5-tetradeuteriohexanedioic acid
Synonym	More Synonyms

(2,2,5,5-2H4)Hexanedioic acid BiologicalActivity

Description	Adipic acid-d4-1 is the deuterium labeled Adipic acid[1]. Adipic acid is found to be associated with HMG-CoA lyase deficiency, carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, and medium Chain acyl-CoA dehydrogenase deficiency, which are inborn errors of metabolism[2].
Related Catalog	Research Areas >>Metabolic Disease
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. G.Frauendienst-Egger, Friedrich K. Trefz (2017). MetaGene: Metabolic & Genetic Information Center. METAGENE consortium.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	338.5±15.0 °C at 760 mmHg
Melting Point	151-154ºC(lit.)
Molecular Formula	C₆H₆D₄O₄
Molecular Weight	150.166
Flash Point	196.1±0.0 °C
Exact Mass	150.083023
PSA	74.60000
LogP	0.08
Vapour Pressure	0.0±1.6 mmHg at 25°C
Index of Refraction	1.476
InChIKey	WNLRTRBMVRJNCN-KHORGVISSA-N
SMILES	O=C(O)CCCCC(=O)O

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H319
Precautionary Statements	P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi: Irritant;
Risk Phrases	R36
Safety Phrases	26
RIDADR	UN 3077 9 / PGIII

Synonyms

Hexanedioic-2,2,5,5-d4 acid

Adipic acid-2,2,5,5-d4

2,2,5,5-tetradeuterio-hexanedioic acid

(2,2,5,5-H)Hexanedioic acid

2,2,5,5-Tetradeuteroadipinsaeure

Hexanedioic-2,2,5,5-d acid

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