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| CAS No.: | 1129-46-0 |
|---|---|
| Name: | (R)-(+)-2-PHENOXYPROPIONIC ACID |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C9H10O3 |
| Molecular Weight: | 166.177 |
| Synonyms: | Propanoicacid, 2-phenoxy-, (R)-;Propionic acid, 2-phenoxy-, D- (8CI);(+)-2-Phenoxypropanoic acid;(+)-2-Phenoxypropionic acid;(2R)-2-Phenoxypropanoic acid;(R)-(+)-2-Phenoxypropionic acid;(R)-2-Phenoxypropanoic acid;(R)-2-Phenoxypropionic acid; |
| Density: | 1.174 g/cm3 |
| Melting Point: | 84-86 °C |
| Boiling Point: | 265 °C at 760 mmHg |
| Flash Point: | 112.7 °C |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 46.53000 |
| LogP: | 1.53850 |
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- Total:33 Page 1 of 1 1
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Specification
The (R)-2-Phenoxypropionic acid, with the CAS registry number 1129-46-0, has the systematic name of (2R)-2-phenoxypropanoic acid. It belongs to the category of Chiral Compounds. And the molecular formula of the chemical is C9H10O3.
The characteristics of (R)-2-Phenoxypropionic acid are as followings: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.58; (4)ACD/LogD (pH 7.4): -1.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.06; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 43.72 cm3; (15)Molar Volume: 141.4 cm3; (16)Polarizability: 17.33×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.174 g/cm3; (19)Flash Point: 112.7 °C; (20)Enthalpy of Vaporization: 53.13 kJ/mol; (21)Boiling Point: 265 °C at 760 mmHg; (22)Vapour Pressure: 0.00471 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, 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: O=C(O)[C@H](Oc1ccccc1)C
(2)InChI: InChI=1/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1
(3)InChIKey: SXERGJJQSKIUIC-SSDOTTSWBH