ChemicalBook--->CAS DataBase List--->5409-31-4

5409-31-4

5409-31-4 Structure

5409-31-4 Structure
IdentificationMore
[Name]

3,4-Diethoxybenzoic acid
[CAS]

5409-31-4
[Synonyms]

3,4-DIETHOXYBENZOIC ACID
AKOS B000155
AKOS BBS-00006478
LABOTEST-BB LT00455672
RARECHEM AL BE 0251
Benzoic acid, 3,4-diethoxy-
SODIUM PYROPHOSPHATE DECAHYDRATE 99% &
3,4-Diethoxybenzoic
3,4-DIETHOXYBENZOIC ACID 99%
[EINECS(EC#)]

226-478-2
[Molecular Formula]

C11H14O4
[MDL Number]

MFCD00002504
[Molecular Weight]

210.23
[MOL File]

5409-31-4.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white amorphous powder
[Melting point ]

167-169 °C (lit.)
[Boiling point ]

309.75°C (rough estimate)
[density ]

1.1922 (rough estimate)
[refractive index ]

1.5384 (estimate)
[storage temp. ]

Store at room temperature
[solubility ]

soluble in Methanol
[form ]

Amorphous Powder
[pka]

4.39±0.10(Predicted)
[color ]

White to off-white
[BRN ]

2651892
[InChI]

1S/C11H14O4/c1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13)
[InChIKey]

VVKCVAPLTRZJHH-UHFFFAOYSA-N
[SMILES]

CCOc1ccc(cc1OCC)C(O)=O
[CAS DataBase Reference]

5409-31-4(CAS DataBase Reference)
[NIST Chemistry Reference]

3,4-Diethoxybenzoic acid(5409-31-4)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29189900
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,4-Diethoxybenzoic acid(5409-31-4).msds
Hazard InformationBack Directory
[Chemical Properties]

white to off-white amorphous powder
[Uses]

3,4-Diethoxybenzoic acid was used in the synthesis of dimethyl 2-(3,4-diethoxyphenyI)-2-methylmalonate.
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-Diethoxybenzoic acid(5409-31-4)MS
3,4-Diethoxybenzoic acid(5409-31-4)1HNMR
3,4-Diethoxybenzoic acid(5409-31-4)13CNMR
3,4-Diethoxybenzoic acid(5409-31-4)IR1
3,4-Diethoxybenzoic acid(5409-31-4)IR2
3,4-Diethoxybenzoic acid(5409-31-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,4-Diethoxybenzoic acid, 99%(5409-31-4)
[Alfa Aesar]

3,4-Diethoxybenzoic acid, 99%(5409-31-4)
[Sigma Aldrich]

5409-31-4(sigmaaldrich)
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