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103-48-0

103-48-0 structural image
Product Name: Phenethyl isobutyrate
Formula: C12H16O2
Synonyms: 2-Phenylethyl 2-methylpropanoate;2-Phenylethyl isobutyrate
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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.

RELATED SUPPLIERS

HJ AROCHEM

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product:103-48-0 99%

Premier Solvents Pvt. Ltd. (Vijay Ajmera Group)

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Mruchem

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Rossari Biotech Ltd.

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U K Aromatics And Chemicals

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S G Arochem Industries

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