2,2-Dimethylpentanoic acid supplier

Name
2,2-DIMETHYLVALERIC ACID
EINECS 214-682-4
CAS No. 1185-39-3
Article Data46
CAS DataBase
Density 0.938 g/cm³
Solubility
Melting Point -55.77°C (estimate)
Formula C₇H₁₄O₂
Boiling Point 207.806 °C at 760 mmHg
Molecular Weight 130.187
Flash Point 91.978 °C
Transport Information UN 3265 8/PG 3
Appearance
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms Valericacid, 2,2-dimethyl- (6CI,7CI,8CI);2,2-Dimethylvaleric acid;NSC 61983;a,a-Dimethylvaleric acid;Pentanoic acid,2,2-dimethyl-;
PSA 37.30000
LogP 1.89730

2,2-Dimethylpentanoic acid Chemical Properties

Molecular Structure of 2,2-Dimethylvaleric acid (CAS NO.1185-39-3):

Molecular Formula: C₇H₁₄O₂
Molecular Weight: 130.18g/mol
Mol File: 1185-39-3.mol
EINECS: 214-682-4
Index of Refraction: 1.432
Molar Refractivity: 36 cm³
Molar Volume: 138.7 cm³
Surface Tension: 31 dyne/cm
Density: 0.938 g/cm³
Flash Point: 92 °C
Enthalpy of Vaporization: 48.94 kJ/mol
Boiling Point: 207.8 °C at 760 mmHg
Vapour Pressure: 0.0889 mmHg at 25 °C
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 2
IUPAC Name: 2,2-dimethylpentanoate
Canonical SMILES: CCCC(C)(C)C(=O)[O-]
InChI: InChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)/p-1
InChIKey: ZRYCZAWRXHAAPZ-UHFFFAOYSA-M

2,2-Dimethylpentanoic acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	900mg/kg (900mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	Neuropharmacology. Vol. 24, Pg. 427, 1985.
mouse	LD50	intravenous	740mg/kg (740mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	Neuropharmacology. Vol. 24, Pg. 427, 1985.

2,2-Dimethylpentanoic acid Safety Profile

Safety Information of 2,2-Dimethylvaleric acid (CAS NO.1185-39-3):
Hazard Codes: C Corrosive
Risk Statements: 34
34: Causes burns
Safety Statements: 26-36/37/39-45
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR: UN 3265 8/PG 3
WGK Germany: 3
RTECS: YV6487500
HazardClass: 8
PackingGroup: II

2,2-Dimethylpentanoic acid Specification

2,2-Dimethylvaleric acid , its CAS NO. is 1185-39-3, the synonyms are 4-02-00-00976 (Beilstein Handbook Reference) ; Pentanoic acid, 2,2-dimethyl- ; alpha,alpha-Dimethylvaleric acid ; Pentanoic acid, 2,2-dimethyl- (9CI) ; Valeric acid, 2,2-dimethyl- .

Product Name

2,2-DIMETHYLVALERIC ACID

2,2-Dimethylpentanoic acid Chemical Properties

2,2-Dimethylpentanoic acid Toxicity Data With Reference

2,2-Dimethylpentanoic acid Safety Profile

2,2-Dimethylpentanoic acid Specification

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