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103-37-7

103-37-7 structural image
Product Name: Benzyl butyrate
Formula: C11H14O2
Synonyms: Benzyl butyrate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 238.00 to 240.00 °C. @ 760.00 mm Hg
Melting Point 21.00 °C. @ 760.00 mm Hg
Solubility insoluble in water, glycols, glycerol; soluble in organic solvents, oils
Density 1.005-1.012
Refractive Index 1.490-1.500
Kovats Retention Index 1312 1307 1325 1318 1311.1 1312.8 1325 1335 1306 1315.8 1337 1337 1340 1322 1305 1311 1314

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H303:Acute toxicity,oral
Precautionary Statement Codes P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P403:Store in a well-ventilated place.

COMPUTED DESCRIPTORS

Molecular Weight 178.23 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 178.099379685 g/mol
Monoisotopic Mass 178.099379685 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 148
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

Phenylmethyl butanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.

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