ChemicalBook--->CAS DataBase List--->7756-96-9

7756-96-9

7756-96-9 Structure

7756-96-9 Structure
IdentificationMore
[Name]

BUTYL ANTHRANILATE
[CAS]

7756-96-9
[Synonyms]

2-AMINOBENZOIC ACID N-BUTYL ESTER
ANTHRANILIC ACID N-BUTYL ESTER
BUTYL 2-AMINOBENZOATE
BUTYL ANTHRANILATE
BUTYL O-AMINOBENZOATE
BUTYL-ORTHO-AMINOBENZOATE
FEMA 2181
N-BUTYL 2-AMINOBENZOATE
N-BUTYL ANTHRANILATE
2-amino-benzoicacibutylester
2-aminobenzoicacidbutylester
anthranilicacid,butylester
n-Butylester
BUTYL ANTHRANILATE 99+%
BUTYL-O-AMINOBENZOATE (BUTYL ANTHRANILATE)
Benzoic acid, 2-amino-, butyl ester
Butylanthranilat
[EINECS(EC#)]

231-816-7
[Molecular Formula]

C11H15NO2
[MDL Number]

MFCD00036506
[Molecular Weight]

193.24
[MOL File]

7756-96-9.mol
Chemical PropertiesBack Directory
[Appearance]

dark brown liquid
[Melting point ]

<0 °C
[Boiling point ]

303 °C(lit.)
[density ]

1.06 g/mL at 25 °C(lit.)
[FEMA ]

2181
[refractive index ]

n20/D 1.545(lit.)
[Fp ]

>230 °F
[form ]

neat
[pka]

2.17±0.10(Predicted)
[color ]

A colourless or very pale straw-coloured liquid.
[Odor]

at 100.00 %. petitgrain plum sweet grape fruity wine floral berry powdery
[Stability:]

Air and light sensitive. Incompatible with alkalies, acids, strong oxidizing agents.
[Odor Type]

fruity
[JECFA Number]

1536
[Major Application]

pharmaceutical
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3
[InChIKey]

HUIYGGQINIVDNW-UHFFFAOYSA-N
[SMILES]

CCCCOC(=O)c1ccccc1N
[LogP]

3.69 at 23℃ and pH8.5
[CAS DataBase Reference]

7756-96-9(CAS DataBase Reference)
[EPA Substance Registry System]

Butyl anthranilate (7756-96-9)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

2
[RTECS ]

DG1527000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

2922493800
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Skin Irrit. 2
Skin Sens. 1
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg
Hazard InformationBack Directory
[General Description]

Dark brown liquid. Insoluble in water.
[Reactivity Profile]

BUTYL ANTHRANILATE(7756-96-9) is an aminophenyl ester derivative. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
[Air & Water Reactions]

Sensitive to air and light. Insoluble in water. This compound will hydrolyze under high and low pH conditions. .
[Fire Hazard]

Flash point data for this chemical are not available. BUTYL ANTHRANILATE is probably combustible.
[Chemical Properties]

Butyl anthranilate has a sweet, faint, fruit (plum, petigrain) note.
[Chemical Properties]

dark brown liquid
[Occurrence]

Reported present in peppermint oil from Brazil, Achillea ageratum, tea and in apple aroma.
[Uses]

Butyl anthranilate USP reference standard, intended for use in specified quality tests and assays as specified in the USP compendia.
[Definition]

ChEBI: A benzoate ester obtained by formal condensation of the carboxy group of anthranilic acid with the hydroxy group of butanol. Found in several fruit species, it is used as a flavouring and fragrance agent and also exhibits insect repellent properties.
[Preparation]

Prepared by transesterification of methyl anthranilate (methyl 2-aminobenzoate) with n-butyl alcohol in the presence of HCl.
[Taste threshold values]

Taste characteristics at 50 ppm: floral, green, fruity, sweet citrus, waxy character.
[Metabolism]

Esters of benzoic acid are presumably either hydrolysed and then metabolized according to the normal pattern for the alcohol and acid produced, or possibly in some cases the ring may be hydroxylated and the product excreted as a glucuronide or sulphate ester . H-Butanol and isobutanol are rapidly oxidized in vivo, presumably to the aldehyde and acid ; only small amounts were excreted by rabbits as the glucuronic acid conjugates
Spectrum DetailBack Directory
[Spectrum Detail]

BUTYL ANTHRANILATE(7756-96-9)MS
BUTYL ANTHRANILATE(7756-96-9)13CNMR
BUTYL ANTHRANILATE(7756-96-9)IR1
BUTYL ANTHRANILATE(7756-96-9)IR2
BUTYL ANTHRANILATE(7756-96-9)Raman
BUTYL ANTHRANILATE(7756-96-9)ESR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

7756-96-9(sigmaaldrich)
[TCI AMERICA]

Butyl Anthranilate,>98.0%(GC)(7756-96-9)
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