2,2-Dimethylcyclopropanecarboxylic acid supplier

Name
2,2-DIMETHYL CYCLOPROPYL CARBOXYLIC ACID
EINECS
CAS No. 75885-59-5
Article Data5
CAS DataBase
Density 1.098 g/cm³
Solubility
Melting Point 563.7°C(lit.)
Formula C₆H₁₀O₂
Boiling Point 184.2 °C at 760 mmHg
Molecular Weight 114.144
Flash Point 83.4 °C
Transport Information
Appearance
Safety 26-36/37-39
Risk Codes 22-37/38-41-43
Molecular Structure
Hazard Symbols Xn
Synonyms Cyclopropanecarboxylicacid, 2,2-dimethyl-, (?à)-;(R,S)-2,2-Dimethylcyclopropanecarboxylic acid;(?à)-2,2-Dimethylcyclopropanecarboxylicacid;2,2-Dimethylcyclopropanecarboxylic acid;DL-2,2-Dimethylcyclopropanecarboxylic acid;NSC 92357;2,2-dimethylcyclopropanecarboxylic acid;2,2-Dimethyl cyclopropyl carboxylic acid;cyclopropanecarboxylic acid, 2,2-dimethyl-;2,2-Dimethylcyclopropylcarboxylic acid;
PSA 37.30000
LogP 1.11710

2,2-Dimethylcyclopropanecarboxylic acid Specification

The Cyclopropanecarboxylicacid, 2,2-dimethyl-, with the CAS registry number 75885-59-5, has the systematic name of 2,2-dimethylcyclopropanecarboxylic acid. It belongs to the product category of Carboxylic Acid. And the molecular formula of the chemical is C₆H₁₀O₂.

The characteristics of Cyclopropanecarboxylicacid, 2,2-dimethyl- are as followings: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1.97; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 45.89; (8)ACD/KOC (pH 7.4): 1.11; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 29.26 cm³; (15)Molar Volume: 103.9 cm³; (16)Polarizability: 11.6×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.098 g/cm³; (19)Flash Point: 83.4 °C; (20)Enthalpy of Vaporization: 46.35 kJ/mol; (21)Boiling Point: 184.2 °C at 760 mmHg; (22)Vapour Pressure: 0.339 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C1CC1(C)C
(2)InChI: InChI=1/C6H10O2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H,7,8)
(3)InChIKey: BFNMOMYTTGHNGJ-UHFFFAOYAV

Product Name

2,2-DIMETHYL CYCLOPROPYL CARBOXYLIC ACID

2,2-Dimethylcyclopropanecarboxylic acid Specification

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