ChemicalBook--->CAS DataBase List--->87-20-7

87-20-7

87-20-7 Structure

87-20-7 Structure
IdentificationMore
[Name]

Isoamyl o-hydroxybenzoate
[CAS]

87-20-7
[Synonyms]

2-HYDROXYBENZOIC ACID ISOAMYL ESTER
2-METHYL BUTYL SALICYLATE
3-methylbutyl o-hydroxybenzoate
3-Methylbutyl salicylate
AMYL SALICYLATE
AMYL SALICYLATE/ISOAMYL SALICYLATE
FEMA 2084
ISOAMYL O-HYDROXYBENZOATE
ISOAMYL SALICYLATE
ISOPENTYL 2-HYDROXYBENZOATE
ISOPENTYL SALICYLATE
PENTYL ORTHO HYDROXY BENZOATE
SALICYLIC ACID ISOAMYL ESTER
(3-methyl-1-butyl)salicylate
2-hydroxy-benzoicaci3-methylbutylester
2-hydroxybenzoicacid3-methylbutylester
3-Methylbutyl 2-hydroxybenzoate
3-methylbutyl2-hydroxybenzoate
Benzoic acid, o-hydroxy, 3-methylbutyl ester
Benzoicacid,2-hydroxy-,3-methylbutylester
[EINECS(EC#)]

201-730-4
[Molecular Formula]

C12H16O3
[MDL Number]

MFCD00020037
[Molecular Weight]

208.25
[MOL File]

87-20-7.mol
Chemical PropertiesBack Directory
[Appearance]

Water-white liquid; sometimes having a faint yellow tinge which should not be pink or red; orchid-like odor. Soluble in alcohol, ether; insoluble in water and glycerol. Combustible.
[Boiling point ]

277-278 °C(lit.)
[density ]

1.05 g/mL at 25 °C(lit.)
[vapor pressure ]

8Pa at 20℃
[FEMA ]

2084
[refractive index ]

n20/D 1.507(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[form ]

clear liquid
[pka]

8.15±0.30(Predicted)
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. floral herbal woody orchid metallic
[Odor Type]

floral
[Water Solubility ]

145mg/L(25 ºC)
[JECFA Number]

903
[Merck ]

5125
[Dielectric constant]

5.4(20℃)
[Cosmetics Ingredients Functions]

PERFUMING
[LogP]

4.78 at 23℃
[CAS DataBase Reference]

87-20-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 2-hydroxy-, 3-methylbutyl ester(87-20-7)
[EPA Substance Registry System]

87-20-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

N
[Risk Statements ]

R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

2
[RTECS ]

VO4375000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29182300
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Salicylic acid
[Preparation Products]

Amyl salicylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Isoamyl o-hydroxybenzoate(87-20-7).msds
Hazard InformationBack Directory
[Description]

Isoamyl salicylate has a characteristic aromatic, strong herbaceous, persistent odor and a bittersweet taste reminiscent of strawberry. May be prepared by esterification of salicylic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.
[Chemical Properties]

Isoamyl salicylate has a pleasant, sweet, slightly floral, herbaceous-green odor and a bittersweet taste reminiscent of strawberry.
[Chemical Properties]

Isoamyl Salicylate has been found in a number of fruit aromas. It is a colorless liquid with a sweet, clover-like odor and is used in perfumery for floral and herbal notes, particularly in soap perfumes.
[Chemical Properties]

Water-white liquid; sometimes having a faint yellow tinge which should not be pink or red; orchid-like odor. Soluble in alcohol, ether; insoluble in water and glycerol. Combustible.
[Occurrence]

Reported found in Burley tobacco, grapes, black tea and rum
[Uses]

In perfumery and soaps.
[Uses]

Isoamyl Salicylate is used in preparation of Hydrogen Peroxide responsive Oxalic Acid derivatives for imaging and therapy.
[Definition]

ChEBI: Isoamyl salicylate is a benzoate ester and a member of phenols. It is functionally related to a salicylic acid.
[Preparation]

By esterification of salicylic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.
[Aroma threshold values]

Aroma characteristics at 1.0%: sweet, floral, soapy, spicy with anise and wintergreen nuances.
[Taste threshold values]

Taste characteristics at 5 ppm: floral, sweet, green, spicy anise and wintergreen-like. Natural
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

Isoamyl o-hydroxybenzoate(87-20-7)MS
Isoamyl o-hydroxybenzoate(87-20-7)13CNMR
Isoamyl o-hydroxybenzoate(87-20-7)IR1
Isoamyl o-hydroxybenzoate(87-20-7)IR2
Isoamyl o-hydroxybenzoate(87-20-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

87-20-7(sigmaaldrich)
[TCI AMERICA]

Isoamyl Salicylate  (contains 2-Methylbutyl Salicylate),>98.0%(GC)(87-20-7)
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