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Butyl phenylacetate

Butyl phenylacetate structure

Butyl phenylacetate 

structure
  • CAS No:

    122-43-0

  • Formula:

    C12H16O2

  • Chemical Name:

    Butyl phenylacetate

  • Synonyms:

    Benzeneacetic acid,butyl ester;Acetic acid,phenyl-,butyl ester;Butyl phenylacetate;Phenylethanoic acid butyl ester;Butyl benzeneacetate

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Colourless liquid; pleasant rose and honey-like odour


Butyl phenylacetate is a member of benzenes.

Butyl phenylacetate Basic Attributes

192.25

192.25

204-543-6

TR6RZ109SI

DTXSID9059541

2916399090

Characteristics

26.30000

3.56

Colourless liquid; pleasant rose and honey-like odour

0.9980 g/cm3 @ Temp: 20 °C

138-140 °C @ Press: 19 Torr

>230 °F

1.497

Insoluble in water; soluble in oils

0.0109mmHg at 25°C

Oral-rat LD50: > 5000 mg/kg

Thermal decomposition to emit toxic nitrogen oxide fumes

Safety Information

NONH for all modes of transport

2

20/21/22-36/37/38

26-36

AJ2480000

Xn

Warehouse ventilated, low temperature and dry

P261-P305 + P351 + P338

H315-H319-H332-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 128 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

practically nontoxic

Butyl phenylacetate Use and Manufacturing

Methods of Manufacturing

It is directly esterified by phenylacetic acid and n-butanol in the presence of gaseous hydrogen chloride.

Uses

GB 2760-96 stipulates the food flake spices that are temporarily allowed to be used. Mainly used to prepare honey, nuts and assorted fruits, caramel chocolate, cream and other flavors.

Benzeneacetic acid, butyl ester: ACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents

Computed Properties

Molecular Weight:192.25
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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