2-Heptanone, 3-butyl- supplier

Name
3-butylheptan-2-one
EINECS
CAS No. 997-69-3
Article Data2
CAS DataBase
Density 0.82 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₂O
Boiling Point 217.7 °C at 760 mmHg
Molecular Weight 170.295
Flash Point 81.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-butylheptan-2-one;
PSA 17.07000
LogP 3.57200

2-Heptanone, 3-butyl- Specification

The 2-Heptanone, 3-butyl- is an organic compound with the formula C₁₁H₂₂O. The IUPAC name of this chemical is 3-butylheptan-2-one. With the CAS registry number 997-69-3, it is also named as 3-Butyl-2-heptanone.

Physical properties about 2-Heptanone, 3-butyl- are: (1)ACD/LogP: 3.91; (2)ACD/LogD (pH 5.5): 3.91; (3)ACD/LogD (pH 7.4): 3.91; (4)ACD/BCF (pH 5.5): 551.11; (5)ACD/BCF (pH 7.4): 551.11; (6)ACD/KOC (pH 5.5): 3189.95; (7)ACD/KOC (pH 7.4): 3189.95; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.424; (12)Molar Refractivity: 52.99 cm³; (13)Molar Volume: 207.6 cm³; (14)Polarizability: 21.01×10^-24cm³; (15)Surface Tension: 26.7 dyne/cm; (16)Density: 0.82 g/cm³; (17)Flash Point: 81.8 °C; (18)Enthalpy of Vaporization: 45.41 kJ/mol; (19)Boiling Point: 217.7 °C at 760 mmHg; (20)Vapour Pressure: 0.131 mmHg at 25°C.

Preparation of 2-Heptanone, 3-butyl-: this chemical can be prepared by 3-butyl-2,3-heptanediol. This reaction will need reagents (PhO)₂CHOEt, SnCl₄. The reaction time is 4 hours. The yield is about 69%.

2-Heptanone, 3-butyl- can be prepared by 3-butyl-2,3-heptanediol

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)C(CCCC)CCCC
(2)InChI: InChI=1/C11H22O/c1-4-6-8-11(10(3)12)9-7-5-2/h11H,4-9H2,1-3H3
(3)InChIKey: JTBWYOMMEUSFLO-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H22O/c1-4-6-8-11(10(3)12)9-7-5-2/h11H,4-9H2,1-3H3
(5)Std. InChIKey: JTBWYOMMEUSFLO-UHFFFAOYSA-N

Product Name

3-butylheptan-2-one

2-Heptanone, 3-butyl- Specification

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