Butyl (R)-(+)-2-(4-hydroxyphenoxy)propionate Property

Boiling point:

356℃

Density 

1.109

Flash point:

130℃

pka

10.07±0.15(Predicted)

InChI

InChI=1S/C13H18O4/c1-3-4-9-16-13(15)10(2)17-12-7-5-11(14)6-8-12/h5-8,10,14H,3-4,9H2,1-2H3/t10-/m1/s1

InChIKey

MPNXVFDGEQKYAY-SNVBAGLBSA-N

SMILES

C(OCCCC)(=O)[C@H](OC1=CC=C(O)C=C1)C

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Butyl (R)-(+)-2-(4-hydroxyphenoxy)propionate Chemical Properties,Usage,Production

Chemical Properties

Colorless and pale yellow, oily liquid

Synthesis

600 mL of toluene was placed in a 1500 mL four-necked flask (R)-2-(4-hydroxyphenoxy)propionic acid 367.6 g (2.0 mol),224.2 g (3.0 mol) of n-butanol, 36.8 g of concentrated sulfuric acid catalyst, stirring. Then, the temperature is raised to 85-90 C, and the reaction is kept for 4 hours. Continue to raise the temperature to 105-108 C, extract a mixture of excess n-butanol and toluene, sample HPLC analysis, to (R)-2-(4-hydroxyphenoxy)propionic acid <0.3%. The reaction is over. Reduce to room temperature, add 150 mL of water to wash, and let stand for stratification. Wash again with 100 mL of water, desolvate to dryness, and get oil. That is, 473.0 g of Butyl (R)-(+)-2-(4-hydroxyphenoxy)propionate, yield: 99.2%, content: 99.1%, optical 99.4%.