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7779-81-9

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7779-81-9 Structure

7779-81-9 Structure
IdentificationBack Directory
[Name]

ISOBUTYL ANGELATE
[CAS]

7779-81-9
[Synonyms]

FEMA 2180
ISOBUTYL ANGELATE
2-Methylpropyl angelate
ISOBUTYL ANGELATE 97+%
ANGELIC ACID ISOBUTYL ESTER
isobutyl 2-methylisocrotonate
ISOBUTYL (Z)-2-METHYL-2-BUTENOATE
2-METHYLISOCROTONIC ACID ISOBUTYL ESTER
(Z)-2-METHYL-2-BUTENOIC ACID ISOBUTYL ESTER
2-Methylisocrotonic acid 2-methylpropyl ester
2-methyl-,2-methylpropylester,(z)-2-butenoicaci
2-methyl-,2-methylpropylester,(Z)-2-Butenoicacid
(Z)-2-Methyl-2-butenoic acid 2-methylpropyl ester
2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (2Z)-
Angelic Acid Isobutyl Ester (Z)-2-Methyl-2-butenoic Acid Isobutyl Ester 2-Methylisocrotonic Acid Isobutyl Ester Isobutyl (Z)-2-Methyl-2-butenoate
[EINECS(EC#)]

231-941-7
[Molecular Formula]

C9H16O2
[MDL Number]

MFCD00063646
[MOL File]

7779-81-9.mol
[Molecular Weight]

156.22
Chemical PropertiesBack Directory
[Boiling point ]

176-177 °C(lit.)
[density ]

0.877 g/mL at 25 °C(lit.)
[FEMA ]

2180 | ISOBUTYL ANGELATE
[refractive index ]

n20/D 1.434(lit.)
[Fp ]

140 °F
[solubility ]

almost transparency in Methanol
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. herbal green spicy cooling woody caraway celery sweet
[Odor Type]

spicy
[JECFA Number]

1213
[LogP]

3.28
[EPA Substance Registry System]

2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (2Z)- (7779-81-9)
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

2916199590
Hazard InformationBack Directory
[Description]

Isobutyl angelate has a faint, pleasant, chamomile-like odor and flavor. May be synthesized by esterification of isobutyl alcohol with angelic acid.
[Chemical Properties]

Isobutyl angelate has a winey, fruity aroma
[Uses]

Isobutyl Angelate is found in Achillea ligustica Asteraceae essential oils which is an antimicrobial against oral microorganisms.
[Definition]

ChEBI: Isobutyl angelate is a fatty acid ester.
[Preparation]

Isobutyl angelate is prepared by direct esterification of iso-Butylalcohol with Angelic acid.
[Taste threshold values]

Taste characteristics at 50 ppm: sweet fruity, grape-like, with a floral honey background.
Spectrum DetailBack Directory
[Spectrum Detail]

ISOBUTYL ANGELATE(7779-81-9)MS
ISOBUTYL ANGELATE(7779-81-9)IR1
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