2,2-dimethylvaleric acid

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Names

[ CAS No. ]:
1185-39-3

[ Name ]:
2,2-dimethylvaleric acid

[Synonym ]:
2,2-Dimethylpentanoic Acid
2,2-Dimethylvaleric Acid
EINECS 214-682-4
MFCD00021686

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

MSDS

Click to get detail MSDS

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-methyl-2-pentene
  • carbon monoxide
  • 1-hexene
  • 1-Hexanol
  • tert-Amyl Alcohol
  • 3-Methyl-3-pentanol
  • 2-METHYLPENTENE
  • 2-Butanone
  • 4'-methoxy[1,1'-biphenyl]-2,5-diol
  • Ethyl formate

DownStream

  • 2,2-Dimethylvaleroyl chloride
  • 2,2-dimethylpentan-1-ol
  • 2-methylpentan-2-amine

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%

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Related Compounds

  • 2,2-dimethylvaleric acid
  • 2,2-Dimethylvaleric acid methyl ester
  • 5-bromo-2,2-dimethylvaleric acid,methyl ester
  • 2,2-Dimethylvaleric acid 3-piperidinopropyl ester
  • 2,2-Dimethylvaleric acid 2-piperidinoethyl ester hydrochloride
  • 2,2-Dimethylvaleric acid 3-(4-methyl-1-piperazinyl)propyl ester