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Benzyl butyrate

Benzyl butyrate structure

CAS No:
103-37-7
Formula:
C11H14O2
Chemical Name:
Benzyl butyrate
Synonyms:
Butanoic acid,phenylmethyl ester;Butyric acid,benzyl ester;Benzyl butyrate;Benzyl n-butyrate;Benzyl butanoate;Phenylmethyl butanoate;NSC 8073;Phenylmethyl butyrate
Categories:
Cosmetic Ingredient > Perfuming

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Description

colourless liquid with a heavy fruity-floral, plum-like odour

Phenylmethyl butanoate is a carboxylic ester. It derives from a benzyl alcohol.

Benzyl butyrate Basic Attributes

Molecular Weight：

178.23

Exact Mass：

178.23

BRN：

2047625

EC Number：

203-105-1

UNII：

84L0NDE31F

NSC Number：

8073

DSSTox ID：

DTXSID7047510

HScode：

29156000

Characteristics

PSA：

26.3

XLogP3：

2.99

Appearance：

colourless liquid with a heavy fruity-floral, plum-like odour

Density：

1.016 g/cm³ @ Temp: 17.5 °C

Melting Point：

21.00°C.@760.00mmHg

Boiling Point：

239 °C

Flash Point：

225 °F

Refractive Index：

1.499

Water Solubility：

insoluble in water, glycols, glycerol; soluble in organic solvents, oils

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.0366mmHg at 25°C

Toxicity：

Oral-rat LD50: 2330 mg/kg

Flammability characteristics：

More flammable liquid; heat breaks down to stimulate smoke

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

RTECS Number：

ES7350000

Storage features：

Ventilated, low temperature and dry

Stability/Shelf Life：

Stable under normal temperatures and pressures.

GHS Classification：

Not Classified

Toxicity

Toxicity class：

moderately toxic

Benzyl butyrate Use and Manufacturing

Methods of Manufacturing

Sodium butyrate and benzyl chloride are heated and refluxed in water to react, and after the reaction is over, be cooled and separated and distilled under reduced pressure to obtain benzyl butyrate. C3H7COONa+C6H5CH2C1→C3H7COOCH2C6H5+NaCl is heated and esterified by benzyl alcohol and butyric acid under sulfuric acid catalysis to obtain the finished product. C3H7COOH+C6H5CH2OH[H2SO4] →C3H7COOCH2C6H5+H2O

Uses

Ester synthetic fragrance. It is mainly used as a blending spice of geranium, geranium, lily of the valley, rose, acacia, lily, jasmine, frangipani and other floral flavors and fruit flavors. It can also be used as a fragrance of soap.

Air care products

Production

< 25,000 lb

Manufacturing Info：

Butanoic acid, phenylmethyl ester: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:178.23
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:148
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzyl chloride

Benzylamine

Benzyl alcohol

4-Methylaniline

Recommended Suppliers of Benzyl butyrate

Shandong Airuike Chemical Co., Ltd. Contact Supplier

CN
3 YRS

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Trader Supplier of api,Intermediates,Organic Chemistry,Inorganic Chemistry,Daily Chemicals,Cosmetic Raw Materals,CATALYST AND AUXILIARY,FLAVORS AND FRAGRANCES,Chemical Pesticides,ADDITIVE

Benzyl butyrate

Unit Price: $1 /KG EXW

CAS No.: 103-37-7

Grade: pharmaceutical grade

Content: 99%

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Guide of Benzyl butyrate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Benzyl butyrate

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