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195202-08-5

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195202-08-5 Structure

195202-08-5 Structure
IdentificationBack Directory
[Name]

(S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID
[CAS]

195202-08-5
[Synonyms]

(2S)-2-(3,4,5-trimethoxyphenyl)butanoate
(S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID
(S)-2-(3,4,5-Trimethoxyphenyl)butanoic acid
(2S)-2-(3,4,5-Trimethoxyphenyl)butyric acid
(2S)-2-(3,4,5-Trimethoxyphenyl)butanoic acid
(2S)-2-(3,4,5-Trimethoxyphenyl)butanoic acid 98%
Benzeneacetic acid, α-ethyl-3,4,5-trimethoxy-, (αS)-
Benzeneacetic acid, a-ethyl-3,4,5-triMethoxy-, (aS)-
[Molecular Formula]

C13H18O5
[MDL Number]

MFCD06245370
[MOL File]

195202-08-5.mol
[Molecular Weight]

254.28
Chemical PropertiesBack Directory
[Melting point ]

86-89°C
[Boiling point ]

378.9±42.0 °C(Predicted)
[density ]

1.142±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), methanol (Sparingly)
[form ]

Solid
[pka]

4.28±0.14(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1/C13H18O5/c1-5-9(13(14)15)8-6-10(16-2)12(18-4)11(7-8)17-3/h6-7,9H,5H2,1-4H3,(H,14,15)/t9-/s3
[InChIKey]

WBULUDGUWZFLMO-DJEYLCQNNA-N
[SMILES]

C1=C(C(OC)=C(C=C1[C@H](CC)C(=O)O)OC)OC |&1:8,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P271-P261-P280
[Hazard Codes ]

Xi
[HS Code ]

2915601990
Hazard InformationBack Directory
[Uses]

(S)-2-(3,4,5-Trimethoxyphenyl)butyric Acid, is a building block used in various chemical synthesis.
[References]

[1] Patent: WO2012/103279, 2012, A2. Location in patent: Page/Page column 11-12
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID(195202-08-5)1HNMR
(S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID(195202-08-5)FT-IR
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