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72604-79-6

Basic Information
CAS No.: 72604-79-6
Name: (R)-2-Hydroxymethylbutanoic acid
Article Data: 1
Molecular Structure:
Molecular Structure of 72604-79-6 ((R)-2-Hydroxymethylbutanoic acid)
Formula: C5H10O3
Molecular Weight: 118.133
Synonyms: Butanoicacid, 2-(hydroxymethyl)-, (R)-;
Density: 1.14 g/cm3
Boiling Point: 253.278 °C at 760 mmHg
Flash Point: 121.238 °C
PSA: 57.53000
LogP: 0.08950
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Specification

 The (R)-2-Hydroxymethylbutanoic acid ,its cas register number is 72604-79-6.It also can be called as Butanoic acid,2-(hydroxymethyl)-, (2R)- and the Systematic name about this chemical is (2R)-2-(hydroxymethyl)butanoic acid .

Following are the chemical properties about (R)-2-Hydroxymethylbutanoic acid :(1)#H bond acceptors: 3 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 57.53Å2 ; (5)Index of Refraction: 1.458 ; (6)Molar Refractivity: 28.271 cm3 ; (7)Molar Volume: 103.578 cm3 ; (8)Polarizability: 11.208x10-24cm3 ; (9)Surface Tension: 44.147 dyne/cm ; (10)Enthalpy of Vaporization: 57 kJ/mol ; (11)Vapour Pressure: 0.003 mmHg at 25°C

There are some first aid measures: (1) Inhalation, please supply fresh air. If required, provide artificial respiration, and keep patient warm, also consult doctor if symptoms persist; (2) Skin contact, please seek immediate medical advice, then instantly wash with water and soap and rinse thoroughly; (3) Eye contact, please seek immediate medical advice, and rinse opened eye for several minutes under running water. Then consult doctor; (4) Swallowing, please seek immediate medical advice.

This chemical can be described computed from structure:
(1)SMILES: O=C(O)[C@H](CC)CO
(2)InChI: InChI=1/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
(3)InChIKey: ZMZQVAUJTDKQGE-SCSAIBSYBV
(4)Std. InChI: InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
(5)Std. InChIKey: ZMZQVAUJTDKQGE-SCSAIBSYSA-N