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Phenylethyl benzoate

Phenylethyl benzoate structure

CAS No:
94-47-3
Formula:
C15H14O2
Chemical Name:
Phenylethyl benzoate
Synonyms:
Benzoic acid,2-phenylethyl ester;Benzoic acid,phenethyl ester;Phenethyl alcohol,benzoate;Benzylcarbinyl benzoate;Phenethyl benzoate;Phenylethyl benzoate;β-Phenylethyl benzoate;2-Phenylethyl benzoate;β-Phenethyl benzoate;NSC 24096;Finsolv SUN;X-Tend 226
Categories:
Cosmetic Ingredient > Perfuming

Description

Clear colorless liquid Phenethyl benzoate has a sweet, rose and honey-like odor. It is used in trace quantities for fixation of honey, strawberry and other fruit preserves.

Phenethyl benzoate is a benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of 2-phenylethanol. It has a role as a plant metabolite and a volatile oil component. It derives from a benzoic acid and a 2-phenylethanol.

Phenylethyl benzoate Basic Attributes

Molecular Weight：

226.27

Exact Mass：

226.27

EC Number：

202-336-5

UNII：

0C143929GK

NSC Number：

24096

DSSTox ID：

DTXSID9047590

HScode：

29163100

Characteristics

PSA：

26.3

XLogP3：

4.01

Appearance：

Clear colorless Liquid

Density：

1.106g/cm3

Boiling Point：

111-115 °C @ Press: 15 Torr

Flash Point：

>230 °F

Refractive Index：

1.57

Water Solubility：

11.99 mg/L @ 25 °C (est)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

DH6288000

GHS Classification：

Not Classified

Phenylethyl benzoate Use and Manufacturing

Manufacturing Info：

Benzoic acid, 2-phenylethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:226.27
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:226.099379685
Monoisotopic Mass:226.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 94-47-3

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Guide of Phenylethyl benzoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Related Drugs
Recommended Suppliers
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Phenylethyl benzoate

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