CAS 1185-39-3|2,2-dimethylvaleric acid

Introduction：Basic information about CAS 1185-39-3|2,2-dimethylvaleric acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles4
7. Synonyms

Common Name	2,2-dimethylvaleric acid
CAS Number	1185-39-3	Molecular Weight	130.18500
Density	0.918 g/mL at 20 °C(lit.)	Boiling Point	200-205°C
Molecular Formula	C₇H₁₄O₂	Melting Point	/
MSDS	ChineseUSA	Flash Point	200-205°C
Symbol	GHS05	Signal Word	Danger

Names

Name	2,2-Dimethylpentanoic acid
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.918 g/mL at 20 °C(lit.)
Boiling Point	200-205°C
Molecular Formula	C₇H₁₄O₂
Molecular Weight	130.18500
Flash Point	200-205°C
Exact Mass	130.09900
PSA	37.30000
LogP	1.89730
Vapour Pressure	0.0889mmHg at 25°C
Index of Refraction	n20/D 1.422
InChIKey	ZRYCZAWRXHAAPZ-UHFFFAOYSA-N
SMILES	CCCC(C)(C)C(=O)O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YV6487500

CHEMICAL NAME :: Valeric acid, 2,2-dimethyl-

CAS REGISTRY NUMBER :: 1185-39-3

BEILSTEIN REFERENCE NO. :: 1747703

LAST UPDATED :: 199706

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H14-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 900 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - ataxia

REFERENCE :: NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 24,427,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 740 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - ataxia

REFERENCE :: NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 24,427,1985

Safety Information

Symbol	GHS05
Signal Word	Danger
Hazard Statements	H314
Precautionary Statements	P280-P305 + P351 + P338-P310
Personal Protective Equipment	Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	C: Corrosive;
Risk Phrases	R34
Safety Phrases	S26-S36/37/39-S45
RIDADR	UN 3265 8/PG 3
WGK Germany	3
RTECS	YV6487500
Packaging Group	II
Hazard Class	8
HS Code	2915900090

Customs

HS Code	2915900090
Summary	2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Articles4

Liquid chromatography-mass spectrometric assay for quantitation of the short-chain fatty acid, 2,2-dimethylbutyrate (NSC 741804), in rat plasma.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 862(1-2) , 168-74, (2008)

2,2-Dimethylbutyrate (DMB) is a potential treatment for thalassemia and hemoglobinopathies. To facilitate pharmacokinetic evaluation of DMB, we developed an LC-MS assay and quantitated DMB in plasma o...

Effects of branched-chain fatty acids on GABA-degradation and behavior: further evidence for a role of GABA in quasi-morphine abstinence behavior.

Pharmacol. Biochem. Behav. 13(6) , 843-9, (1980)

An increase in GABA-ergic activity has been implicated in the initiation of quasi-morphine abstinence behavior by di-n-propylacetate (DPA). Two structural analogues of DPA, namely, the branched-chain-...

Effects of the lipid regulator drug gemfibrozil: A toxicological and behavioral perspective.

Aquat. Toxicol. 170 , 355-64, (2016)

Pharmaceuticals are emerging contaminants as their worldwide consumption increases. Fibrates such as gemfibrozil (GEM) are used in human medicine to reduce blood concentrations of cholesterol and tria...

Synonyms

2,2-Dimethylpentanoic Acid

2,2-Dimethylvaleric Acid

EINECS 214-682-4

MFCD00021686

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