1,3-Propanediol,2-(2-methoxyphenoxy)- supplier

Name
2-(2-methoxyphenoxy)propane-1,3-diol
EINECS
CAS No. 14007-09-1
Article Data2
CAS DataBase
Density 1.195 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄O₄
Boiling Point 376.9 °C at 760 mmHg
Molecular Weight 198.219
Flash Point 181.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 1,3-Propanediol,2-(o-methoxyphenoxy)- (7CI,8CI);2-(2-Methoxyphenoxy)-1,3-propanediol;
PSA 58.92000
LogP 0.42720

1,3-Propanediol,2-(2-methoxyphenoxy)- 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.

Product Name

2-(2-methoxyphenoxy)propane-1,3-diol

1,3-Propanediol,2-(2-methoxyphenoxy)- Specification

Related Products

Hot Products