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14007-09-1

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Basic Information
CAS No.: 14007-09-1
Name: 2-(2-methoxyphenoxy)propane-1,3-diol
Article Data: 2
Molecular Structure:
Molecular Structure of 14007-09-1 (2-(2-methoxyphenoxy)propane-1,3-diol)
Formula: C10H14O4
Molecular Weight: 198.219
Synonyms: 1,3-Propanediol,2-(o-methoxyphenoxy)- (7CI,8CI);2-(2-Methoxyphenoxy)-1,3-propanediol;
Density: 1.195 g/cm3
Boiling Point: 376.9 °C at 760 mmHg
Flash Point: 181.8 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 58.92000
LogP: 0.42720
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Specification

The 1,3-Propanediol,2-(2-methoxyphenoxy)-, with the CAS registry number 14007-09-1, is also known as 2-(o-Methoxyphenoxy)-1,3-propanediol. This chemical's molecular formula is C10H14O4 and molecular weight is 198.21576. Its IUPAC name is called 2-(2-methoxyphenoxy)propane-1,3-diol.

Physical properties of 1,3-Propanediol,2-(2-methoxyphenoxy)-: (1)ACD/LogP: 0.44; (2)ACD/LogD (pH 5.5): 0.44; (3)ACD/LogD (pH 7.4): 0.44; (4)ACD/BCF (pH 5.5): 1.28; (5)ACD/BCF (pH 7.4): 1.28; (6)ACD/KOC (pH 5.5): 41.55; (7)ACD/KOC (pH 7.4): 41.55; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 51.9 cm3; (13)Molar Volume: 165.8 cm3; (14)Surface Tension: 45.6 dyne/cm; (15)Density: 1.195 g/cm3; (16)Flash Point: 181.8 °C; (17)Enthalpy of Vaporization: 65.89 kJ/mol; (18)Boiling Point: 376.9 °C at 760 mmHg; (19)Vapour Pressure: 2.36E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=CC=C1OC(CO)CO
(2)InChI: InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-8(6-11)7-12/h2-5,8,11-12H,6-7H2,1H3
(3)InChIKey: DTADPBLDQSWASV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1710mg/kg (1710mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 82, Pg. 532, 1953.