CAS No.80866-83-7,2-Phenylpropyl butyrate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80866-83-7
Name:	2-Phenylpropyl butyrate
Article Data:	1

Formula:	C₁₃H₁₈O₂
Molecular Weight:	206.285
Synonyms:	2-Phenylpropylbutyrate;Butyric acid 2-phenylpropyl ester;
EINECS:	279-587-2
Density:	0.986 g/cm³
Boiling Point:	276.8 °C at 760 mmHg
Flash Point:	104.6 °C
Safety:	24/25
PSA:	26.30000
LogP:	3.13340

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Specification

The 2-Phenylpropyl butyrate, with the CAS registry number 80866-83-7, is also known as Hydratropyl butyrate. Its EINECS registry number is 279-587-2. This chemical's molecular formula is C₁₃H₁₈O₂ and molecular weight is 206.28. What's more, its systematic name and its IUPAC name are the same which is called 2-Phenylpropyl butanoate. It should be put in a cool and dry place. When you are dealing with this chemical, you should avoid contacting with your skin and eyes.

Physical properties about 2-Phenylpropyl butyrate are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 388.09; (6)ACD/BCF (pH 7.4): 388.09; (7)ACD/KOC (pH 5.5): 2481.76; (8)ACD/KOC (pH 7.4): 2481.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 60.74 cm³; (15)Molar Volume: 209 cm³; (16)Surface Tension: 34.3 dyne/cm; (17)Density: 0.986 g/cm³; (18)Flash Point: 104.6 °C; (19)Enthalpy of Vaporization: 51.54 kJ/mol; (20)Boiling Point: 276.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00469 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(c1ccccc1)C)CCC
(2) InChI: InChI=1/C13H18O2/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
(3) InChIKey: SKLXPNZDCBPHCS-UHFFFAOYAG