1,3-Propanediol,2-heptyl-2-(hydroxymethyl)- supplier

Name
2-HEPTYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL
EINECS
CAS No. 4780-30-7
Density 1.008 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₄O₃
Boiling Point 359.19 °C at 760 mmHg
Molecular Weight 204.3065
Flash Point 169.126 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-HEPTYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL;2-Heptyl-2-(hydroxymethyl)propane-1,3-diol
PSA 60.69000
LogP 1.31020

1,3-Propanediol,2-heptyl-2-(hydroxymethyl)- Specification

The CAS registry number of 1,3-Propanediol,2-heptyl-2-(hydroxymethyl)- is 4780-30-7. This chemical's molecular formula is C₁₁H₂₄O₃ and molecular weight is 204.3065. What's more, its systematic name is 2-Heptyl-2-(hydroxymethyl)propane-1,3-diol.

Physical properties about 1,3-Propanediol,2-heptyl-2-(hydroxymethyl)- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 228; (8)ACD/KOC (pH 7.4): 228; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 60.69 Å²; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 57.581 cm³; (15)Molar Volume: 202.676 cm³; (16)Polarizability: 22.827×10^-24 cm³; (17)Surface Tension: 41.712 dyne/cm; (18)Density: 1.008 g/cm³; (19)Flash Point: 169.126 °C; (20)Enthalpy of Vaporization: 70.007 kJ/mol; (21)Boiling Point: 359.19 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(CCCCCCC)(CO)CO
(2) InChI: InChI=1/C11H24O3/c1-2-3-4-5-6-7-11(8-12,9-13)10-14/h12-14H,2-10H2,1H3
(3) InChIKey: HHKAGFTWEFVXET-UHFFFAOYAD

Product Name

2-HEPTYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL

1,3-Propanediol,2-heptyl-2-(hydroxymethyl)- Specification

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