Phenethyl isobutyrate - CAS 103-48-0

Catalog:	BB001147
Product Name:	Phenethyl isobutyrate
CAS:	103-48-0
Synonyms:	2-phenylethyl 2-methylpropanoate

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2-phenylethyl 2-methylpropanoate
Description:	Phenethyl isobutyrate (CAS# 103-48-0 ) is a useful research chemical.
Molecular Weight:	192.25
Molecular Formula:	C12H16O2
Canonical SMILES:	CC(C)C(=O)OCCC1=CC=CC=C1
InChI:	InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChI Key:	JDQVBGQWADMTAM-UHFFFAOYSA-N
Boiling Point:	250 °C
Flash Point:	105.8°C
Density:	0.99 g/cm³
Appearance:	Colourless to slighty yellow liquid; fruity-rosy odour
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00026441
LogP:	2.42830
Refractive Index:	1.49

Publication Number	Title	Priority Date
CN-113265299-A	Watermelon essence and electronic atomized liquid containing same	20210421
JP-2021073195-A	Composition with stable taste and odor	20201228
CN-112574819-A	Kyoho grape essence and preparation method and application thereof	20201118
CN-112143564-A	Daily chemical essence with fruit fragrance and preparation method thereof	20201019
EP-3900696-A1	Encapsulated fragrance composition	20200421

PMID	Publication Date	Title	Journal
22406563	20120901	Fragrance material review on phenethyl isobutyrate	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.115029749
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.115029749
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3