2,2-dimethylvaleric acid

Modify Date: 2025-08-24 13:41:13

2,2-dimethylvaleric acid Structure
2,2-dimethylvaleric acid structure
 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 N/A
MSDS Chinese USA Flash Point 200-205°C
Symbol GHS05
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
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

 Synthetic Route

 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

More Articles
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...

 2,2-dimethylvaleric acidBioassay

View more

Name: Reduction of propionyl-CoA in human hepatocytes derived from propionic acidemia patie...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4809035
Name: Reduction of propionyl-CoA in human hepatocytes derived from propionic acidemia patie...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4809036
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 Synonyms

2,2-Dimethylpentanoic Acid
2,2-Dimethylvaleric Acid
EINECS 214-682-4
MFCD00021686
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