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Pivalic acid

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Pivalic acid

EINECS 200-922-5
CAS No. 75-98-9 Density 0.965 g/cm3
Solubility 25 g/L (20 °C) in water Melting Point 32-35 °C
Formula C5H10O2 Boiling Point 166.2 °C at 760 mmHg
Molecular Weight 102.13 Flash Point 68.3 °C
Transport Information UN 3261 8/PG 2 Appearance white crystalline low melting mass
Safety 26-36/37/39-45 Risk Codes 21/22-34
Molecular Structure Molecular Structure of 75-98-9 (Pivalic acid) Hazard Symbols CorrosiveC
Synonyms

Pivalicacid (7CI,8CI);2,2,2-Trimethylacetic acid;2,2-Dimethylpropanoic acid;2,2-Dimethylpropionic acid;NSC 65449;Neopentanoic acid;Neovaleric acid;Trimethylacetic acid;Trimethylmethanecarboxylic acid;Versatic 5 acid;tert-Pentanoic acid;a,a-Dimethylpropionic acid;Propanoic acid,2,2-dimethyl-;

 

Pivalic acid Chemical Properties

Molecular Structure of Pivalic acid (CAS NO.75-98-9):

IUPAC Name: 2,2-Dimethylpropanoic acid
Canonical SMILES: CC(C)(C)C(=O)O
InChI: InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKey: IUGYQRQAERSCNH-UHFFFAOYSA-N
Molecular Weight: 102.1317 [g/mol]
Molecular Formula: C5H10O2
XLogP3: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 2 
EINECS: 200-922-5
Product Categories: Intermediates
Appearance: white crystalline low melting mass
Melting Point: 32-35 °C(lit.)
Index of Refraction: 1.419
Molar Refractivity: 26.74 cm3
Molar Volume: 105.7 cm3
Surface Tension: 30.2 dyne/cm
Density: 0.965 g/cm3
Flash Point: 68.3 °C
Enthalpy of Vaporization: 44.41 kJ/mol
Boiling Point: 166.2 °C at 760 mmHg
Vapour Pressure: 0.907 mmHg at 25 °C
storage temp.: 2-8°C
Water Solubility: 25 g/L (20 °C)
Classification Code: Tumor data 

Pivalic acid Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 900mg/kg (900mg/kg)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 4, Pg. 863, 1978.
rat LD50 skin 1900mg/kg (1900mg/kg)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 4, Pg. 863, 1978.

Pivalic acid Safety Profile

Safety Information of Pivalic acid (CAS NO.75-98-9):
Hazard Codes: CorrosiveC
Risk Statements: 21/22-34 
R21/22:Harmful in contact with skin and if swallowed. 
R34:Causes burns.
Safety Statements: 26-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 2
WGK Germany: 1
RTECS: TO7700000
HazardClass: 8
PackingGroup: II

Pivalic acid Specification

 Pivalic acid (CAS NO.75-98-9), its Synonyms are 2,2-Dimethylpropanoic acid ; 2,2-Dimethylpropionic acid ; Acetic acid, trimethyl- ; Kyselina 2,2-dimethylpropionova ; Neopentanoic acid ; Propanoic acid, 2,2-dimethyl- ; Propionic acid, 2,2-dimethyl- ; Trimethylacetic acid ; Versatic 5 ; alpha,alpha-Dimethylpropionic acid ; tert-Pentanoic acid .

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