3-Heptanol, 5-methyl- supplier

Name
5-METHYL-3-HEPTANOL
EINECS 242-531-2
CAS No. 18720-65-5
Article Data12
CAS DataBase
Density 0.819 g/cm³
Solubility
Melting Point -91 °C
Formula C₈H₁₈O
Boiling Point 167.5 °C at 760 mmHg
Molecular Weight 130.23
Flash Point 64.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methyl-3-heptanol;
PSA 20.23000
LogP 2.19350

3-Heptanol, 5-methyl- Specification

The 3-Heptanol, 5-methyl-, with the CAS registry number 18720-65-5, is also known as 5-Methyl-3-heptanol. Its EINECS registry number is 242-531-2. This chemical's molecular formula is C₈H₁₈O and molecular weight is 130.2279. What's more, its systematic name and its IUPAC name are the same which is called 5-Methylheptan-3-ol.

Physical properties about 3-Heptanol, 5-methyl-: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 59; (6)ACD/BCF (pH 7.4): 59; (7)ACD/KOC (pH 5.5): 644.45; (8)ACD/KOC (pH 7.4): 644.45; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23Å²; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 40.56 cm³; (15)Molar Volume: 158.8 cm³; (16)Surface Tension: 26.9 dyne/cm; (17)Density: 0.819 g/cm³; (18)Flash Point: 64.2 °C; (19)Enthalpy of Vaporization: 47.04 kJ/mol; (20)Boiling Point: 167.5 °C at 760 mmHg; (21)Vapour Pressure: 0.558 mmHg at 25 °C; (22)Melting point: -91 °C.

Preparation of 3-Heptanol, 5-methyl-: this chemical is prepared by 5-Methyl-heptan-3-one. The reaction occurs with reagents Formic acid and Sodium formate and solvent H₂O at temperature of 100°C for 15 hours. The yield is 92 %.

3-Heptanol, 5-methyl- is prepared by 5-Methyl-heptan-3-one

You can still convert the following datas into molecular structure:
(1) SMILES: OC(CC(C)CC)CC
(2) InChI: InChI=1/C8H18O/c1-4-7(3)6-8(9)5-2/h7-9H,4-6H2,1-3H3
(3) InChIKey: SECKOSOTZOBWEI-UHFFFAOYAM

Product Name

5-METHYL-3-HEPTANOL

3-Heptanol, 5-methyl- Specification

Related Products

Hot Products