ChemicalBook--->CAS DataBase List--->20665-85-4

20665-85-4

20665-85-4 Structure

20665-85-4 Structure
IdentificationMore
[Name]

Vanillin isobutyrate
[CAS]

20665-85-4
[Synonyms]

4-formyl-2-methoxyphenyl isobutyrate
4-ISOBUTYRATE-3-METHOXYBENZALDEHYDE
FEMA 3754
ISOBUTAVAN
ISOBUTYL LIGNATE
VANILLIN ISOBUTYRATE
2-methyl-propanoicaci4-formyl-2-methoxyphenylester
Propanoicacid,2-methyl-,4-formyl-2-methoxyphenylester
ISO BUTYL LIGNATE (VANILLIN ISO-BUTYRATE)
VANILLIN ISOBUTYRATE 98+%
4-Formyl-2-methoxyphenyl 2-methylpropionate
ISO-JASMONE PURE
VANILLIN ISOBUTYRATE, NATURAL
3-Methoxy-4-(2-methylpropanoyloxy)benzaldehyde
Isobutyric acid 2-methoxy-4-formylphenyl ester
[EINECS(EC#)]

243-956-6
[Molecular Formula]

C12H14O4
[MDL Number]

MFCD00169858
[Molecular Weight]

222.24
[MOL File]

20665-85-4.mol
Chemical PropertiesBack Directory
[Melting point ]

27.0 to 31.0 °C
[Boiling point ]

312.9±27.0 °C(Predicted)
[density ]

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

0.017Pa at 20℃
[FEMA ]

3754
[refractive index ]

n20/D 1.524(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C, stored under nitrogen
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Almost white
[Odor]

at 100.00 %. sweet vanilla creamy fruity caramel chocolate
[biological source]

synthetic
[Odor Type]

vanilla
[Water Solubility ]

573mg/L at 20℃
[λmax]

311nm(1-Butanol)(lit.)
[JECFA Number]

891
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
[InChIKey]

BGKAKRUFBSTALK-UHFFFAOYSA-N
[SMILES]

COc1cc(C=O)ccc1OC(=O)C(C)C
[LogP]

2
[CAS DataBase Reference]

20665-85-4(CAS DataBase Reference)
[EPA Substance Registry System]

20665-85-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317
[Precautionary statements ]

P261-P280
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

2915.60.1000
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

Vanillin isobutyrate is a colorless to slightly yellow liquid or solid with a heavy, sweet, vanillin, nutmeg odor.
[Physical properties]

Isobutavan has a sweet, and creamy vanillic character reminiscent of white chocolate, cream soda and with a soft apricot feeling. Isobutavan is much less discolourising than vanillin or ethyl vanillin and can be used at levels up to 2% in for example white soap fragrances before discolouration is a problem. It is less powdery than vanillin and has a more creamy "thickening" effect.
[Uses]

Vanillin isobutyrate can be used in the formulation of floral, caramel, and vanilla flavors.
[Definition]

ChEBI: Vanillin isobutyrate is a member of phenols and a benzoate ester.
[Flammability and Explosibility]

Notclassified
[Biochem/physiol Actions]

Odor at 1.0%
Spectrum DetailBack Directory
[Spectrum Detail]

Vanillin isobutyrate(20665-85-4)1HNMR
Vanillin isobutyrate(20665-85-4)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

20665-85-4(sigmaaldrich)
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