1-Phenyl-2-propyn-1-ol supplier

Name
1-PHENYL-2-PROPYN-1-OL
EINECS 224-064-6
CAS No. 4187-87-5
Article Data195
CAS DataBase
Density 1.087
Solubility
Melting Point 22-23 ºC(lit.)
Formula C₉H₈O
Boiling Point 210.9ºC at 760 mmHg
Molecular Weight 132.162
Flash Point 99 ºC
Transport Information
Appearance COLORLESS TO YELLOW LIQUID
Safety 26-36
Risk Codes R22;R36/37/38
Molecular Structure
Hazard Symbols
Synonyms Benzylalcohol, a-ethynyl- (6CI,7CI,8CI);(?à)-1-Phenyl-2-propyn-1-ol;(?à)-a-Ethynylbenzenemethanol;1-Phenyl-1-propargyl alcohol;1-Phenyl-2-propyn-1-ol;1-Phenyl-2-propynol;1-Phenylpropargyl alcohol;2-Propyn-1-ol, 1-phenyl-;3-Hydroxy-3-phenylprop-1-yne;3-Hydroxy-3-phenylpropyne;3-Phenyl-1-propyn-3-ol;Ethynylphenylcarbinol;NSC4326;Phenylethynylcarbinol;[(Hydroxy)(phenyl)methyl]acetylene;a-Ethynylbenzenemethanol;a-Ethynylbenzyl alcohol;a-Hydroxybenzylacetylene;a-Phenylpropargyl alcohol;
PSA 20.23000
LogP 1.35320

1-Phenyl-2-propyn-1-ol Specification

The 1-Phenyl-2-propyn-1-ol, with the cas registry number of 4187-87-5, is also called 1-Phenylpropargyl alcohol. And its product categories are various, including Acetylenes; Acetylenic Alcohols & Their Derivatives. The molecular formula of the chemical is C₉H₈O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.48; (6)ACD/BCF (pH 7.4): 7.48; (7)ACD/KOC (pH 5.5): 146.95; (8)ACD/KOC (pH 7.4): 146.94; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 39.8 cm³; (15)Molar Volume: 120.7 cm³; (16)Polarizability: 15.77×10^-24cm³; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.094 g/cm³; (19)Flash Point: 90.5 °C; (20)Enthalpy of Vaporization: 47.27 kJ/mol; (21)Boiling Point: 210.9 °C at 760 mmHg; (22)Vapour Pressure: 0.112 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and is harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C(#C)C(O)c1ccccc1
(2)InChI: InChI=1/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H
(3)InChIKey: UIGLAZDLBZDVBL-UHFFFAOYAZ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	240mg/kg (240mg/kg)		Farmaco, Edizione Scientifica. Vol. 8, Pg. 406, 1953.

Product Name

1-PHENYL-2-PROPYN-1-OL

1-Phenyl-2-propyn-1-ol Specification

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