2,2-Dimethylvaleraldehyde supplier

Name
2,2-Dimethylvaleraldehyde
EINECS 238-124-4
CAS No. 14250-88-5
Article Data11
CAS DataBase
Density 0.807 g/cm³
Solubility
Melting Point -43.35°C (estimate)
Formula C₇H₁₄O
Boiling Point 136.4 °C at 760 mmHg
Molecular Weight 114.188
Flash Point 24.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valeraldehyde,2,2-dimethyl- (6CI,7CI,8CI);2,2-Dimethylpentanal;2,2-Dimethylvaleraldehyde;
PSA 17.07000
LogP 2.01160

2,2-Dimethylvaleraldehyde Specification

The IUPAC name of 2,2-Dimethylvaleraldehyde is 2,2-dimethylpentanal. With the CAS registry number 14250-88-5, it is also named as Pentanal, 2,2-dimethyl-. In addition, its molecular formula is C₇H₁₄O and molecular weight is 114.18546.

The other characteristics of 2,2-Dimethylvaleraldehyde can be summarized as: (1)EINECS: 238-124-4; (2)ACD/LogP: 2.13; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.13; (5)ACD/LogD (pH 7.4): 2.13; (6)ACD/BCF (pH 5.5): 24.67; (7)ACD/BCF (pH 7.4): 24.67; (8)ACD/KOC (pH 5.5): 345.26; (9)ACD/KOC (pH 7.4): 345.26; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 17.07 Å²; (14)Index of Refraction: 1.404; (15)Molar Refractivity: 34.63 cm³; (16)Molar Volume: 141.4 cm³; (17)Polarizability: 13.72×10^-24cm³; (18)Surface Tension: 24.4 dyne/cm; (19)Density: 0.807 g/cm³; (20)Flash Point: 24.5 °C; (21)Enthalpy of Vaporization: 37.38 kJ/mol; (22)Boiling Point: 136.4 °C at 760 mmHg; (23)Vapour Pressure: 7.38 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=CC(C)(C)CCC
(2)InChI: InChI=1/C7H14O/c1-4-5-7(2,3)6-8/h6H,4-5H2,1-3H3
(3)InChIKey: YMXAGOUPXPGFLB-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H14O/c1-4-5-7(2,3)6-8/h6H,4-5H2,1-3H3
(5)Std. InChIKey: YMXAGOUPXPGFLB-UHFFFAOYSA-N

Product Name

2,2-Dimethylvaleraldehyde

2,2-Dimethylvaleraldehyde Specification

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