103-48-0
Product Name:
Phenethyl isobutyrate
Formula:
C12H16O2
Synonyms:
2-Phenylethyl 2-methylpropanoate;2-Phenylethyl isobutyrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid |
---|---|
Boiling Point | 230.00 °C. @ 760.00 mm Hg |
Solubility | Insoluble in water; soluble in oils |
Density | 0.987-0.990 |
Refractive Index | 1.485-1.490 |
Kovats Retention Index | 1375 1400 1375 1375.3 1368 1371 1380.6 1374 1368 |
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
Molecular Weight | 192.25 g/mol |
---|---|
XLogP3 | 3.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 5 |
Exact Mass | 192.115029749 g/mol |
Monoisotopic Mass | 192.115029749 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 169 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Phenethyl isobutyrate is a carboxylic ester obtained by the formal condensation of 2-phenylethanol with isobutyric acid. It has a role as a metabolite. It is functionally related to a 2-phenylethanol and an isobutyric acid.