CAS No.31729-66-5,1-phenylcyclopropanemethanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31729-66-5
Name:	1-phenylcyclopropanemethanol
Article Data:	18

Formula:	C₁₀H₁₂O
Molecular Weight:	148.205
Synonyms:	(1-Phenylcyclopropyl)methanol;1-Phenyl-1-(hydroxymethyl)cyclopropane;1-Phenyl-1-cyclopropanemethanol;1-Phenylcyclopropanemethanol;
EINECS:	250-781-9
Density:	1.102 g/cm³
Boiling Point:	248.957 °C at 760 mmHg
Flash Point:	113.108 °C
PSA:	20.23000
LogP:	1.71050

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Specification

The Cyclopropanemethanol,1-phenyl-, with the CAS registry number 31729-66-5, is also known as 1-Phenyl-1-(hydroxymethyl)cyclopropane. Its EINECS registry number is 250-781-9. This chemical's molecular formula is C₁₀H₁₂O and molecular weight is 148.2017. What's more, its IUPAC name is (1-Phenylcyclopropyl)methanol.

Physical properties about Cyclopropanemethanol,1-phenyl- are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.555; (4)ACD/LogD (pH 7.4): 1.555; (5)ACD/BCF (pH 5.5): 8.954; (6)ACD/BCF (pH 7.4): 8.954; (7)ACD/KOC (pH 5.5): 167.135; (8)ACD/KOC (pH 7.4): 167.135; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 44.413 cm³; (15)Molar Volume: 134.426 cm³; (16)Polarizability: 17.607×10^-24 cm³; (17)Surface Tension: 50.847 dyne/cm; (18)Density: 1.102 g/cm³; (19)Flash Point: 113.108 °C; (20)Enthalpy of Vaporization: 51.371 kJ/mol; (21)Boiling Point: 248.957 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C2(CC2)CO
(2) InChI: InChI=1/C10H12O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2
(3) InChIKey: APALRPYIDIBHQN-UHFFFAOYAZ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 500 mg/kg (500 mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 149, 1977.
mouse	LD50	oral	> 1 gm/kg (1000 mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 149, 1977.