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Butyl salicylate

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Butyl salicylate Basic information

Product Name:
Butyl salicylate
Synonyms:
  • Salicylic Acid Butyl Ester 2-Hydroxybenzoic Acid Butyl Ester Butyl 2-Hydroxybenzoate
  • BUTYL SALICYLATE
  • BUTYL 2-HYDROXYBENZOATE
  • 2-Hydroxy-benzoic acid, butyl ester
  • 2-hydroxy-benzoicacibutylester
  • Benzoicacid,2-hydroxy-,butylester
  • Brunol
  • Butyl o-hydroxybenzoate
CAS:
2052-14-4
MF:
C11H14O3
MW:
194.23
EINECS:
218-142-9
Product Categories:
  • A-B
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Mol File:
2052-14-4.mol
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Butyl salicylate Chemical Properties

Melting point:
-5.9°C
Boiling point:
268 °C (lit.)
Density 
1.08 g/mL at 25 °C (lit.)
refractive index 
1.5120
FEMA 
3650 | BUTYL SALICYLATE
Flash point:
134°C
pka
8.15±0.30(Predicted)
form 
liquid
color 
Colorless to Almost colorless
Odor
Somewhat rough-herbaceous-chemical odor
Odor Type
floral
Water Solubility 
2.8g/L(37 ºC)
JECFA Number
901
InChIKey
YFDUWSBGVPBWKF-UHFFFAOYSA-N
LogP
3.83
CAS DataBase Reference
2052-14-4(CAS DataBase Reference)
NIST Chemistry Reference
Benzoic acid, 2-hydroxy-, butyl ester(2052-14-4)
EPA Substance Registry System
Benzoic acid, 2-hydroxy-, butyl ester (2052-14-4)
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Safety Information

Hazard Codes 
Xn
Risk Statements 
36/37/38-22
Safety Statements 
26-36/37/39-36
WGK Germany 
3
RTECS 
VO2000000
HS Code 
29182300
Toxicity
rat,LD50,oral,1700mg/kg (1700mg/kg),Food and Cosmetics Toxicology. Vol. 16, Pg. 663, 1978.

MSDS

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Butyl salicylate Usage And Synthesis

Chemical Properties

Butyl salicylate has a rough, herbaceous, chemical odor with a trace of wintergreen.

Occurrence

Reported found in mountain papaya.

Uses

Butyl salicylate is used in perfume compositions as a modifier for higher esters of Salicylic acid. It produces a Fougere-like note with Coumarin and Lavandin - with or without Oakmoss - but not as attractive as the one obtainable with the Amylester. Blends well with the herbaceous oils, with Pine needle oils and related chemicals (Bornyl family), with Cedarwood producls and it gives good fixative effect along with the simple Nitromusks in low-cost perfumes.

Preparation

By direct esterification of n-butanol with salicylic acid under azeotropic conditions.

Definition

ChEBI: Butyl salicylate is a member of phenols and a benzoate ester. It is functionally related to a salicylic acid.

Aroma threshold values

Detection 5 to 7 ppb; Recognition 10 ppb

Synthesis Reference(s)

Tetrahedron Letters, 37, p. 6375, 1996 DOI: 10.1016/0040-4039(96)01351-2

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