ChemicalBook--->CAS DataBase List--->645-08-9

645-08-9

645-08-9 Structure

645-08-9 Structure
IdentificationMore
[Name]

3-Hydroxy-4-methoxybenzoic acid
[CAS]

645-08-9
[Synonyms]

3-HYDROXY-4-METHOXYBENZOIC ACID
3-HYDROXYANISIC ACID
4-METHOXY-3-HYDROXYBENZOIC ACID
AKOS 220-48
ISOVANILLIC ACID
RARECHEM AL BE 0068
3-hydroxy-4-methoxy-benzoicaci
3-hydroxy-p-anisicaci
Acide isovanillique
acideisovanillique
Benzoic acid, 3-hydroxy-4-methoxy-
p-Anisic acid, 3-hydroxy-
3-hydroxy-p-anisic acid
3-Hydroxy-4-Methoxybenzoic
ISOVANILLIC ACID (3-HYDROXY-4-METHOXYBENZOIC ACID)
3-Hydroxy-4-methoxybenzoic acid, 97+%
5-Carboxy-2-methoxyphenol
[EINECS(EC#)]

211-430-5
[Molecular Formula]

C8H8O4
[MDL Number]

MFCD00002507
[Molecular Weight]

168.15
[MOL File]

645-08-9.mol
Chemical PropertiesBack Directory
[Appearance]

beige to grey-brown powder
[Melting point ]

250-253 °C(lit.)
[Boiling point ]

257.07°C (rough estimate)
[density ]

1.3037 (rough estimate)
[refractive index ]

1.5090 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Powder
[pka]

4.35±0.10(Predicted)
[color ]

Beige to gray-brown
[BRN ]

2208365
[InChI]

1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
[InChIKey]

LBKFGYZQBSGRHY-UHFFFAOYSA-N
[SMILES]

COc1ccc(cc1O)C(O)=O
[LogP]

1.350 (est)
[CAS DataBase Reference]

645-08-9(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Hydroxy-4-methoxybenzoic acid(645-08-9)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

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 .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

BZ4850000
[HazardClass ]

IRRITANT
[HS Code ]

29189900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Hydroxy-4-methoxybenzoic acid(645-08-9).msds
Hazard InformationBack Directory
[Chemical Properties]

beige to grey-brown powder
[Uses]

Isovanillic acid has been used in the synthesis of opiate alkaloid precursor, dihydrothebainone.
[Definition]

ChEBI: A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3.
[General Description]

Rate of oxidation of isovanillic acid by washed cells of Pseudomonas putida has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Hydroxy-4-methoxybenzoic acid(645-08-9)MS
3-Hydroxy-4-methoxybenzoic acid(645-08-9)1HNMR
3-Hydroxy-4-methoxybenzoic acid(645-08-9)13CNMR
3-Hydroxy-4-methoxybenzoic acid(645-08-9)IR1
3-Hydroxy-4-methoxybenzoic acid(645-08-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Hydroxy-4-methoxybenzoic acid, 99%(645-08-9)
[Alfa Aesar]

3-Hydroxy-4-methoxybenzoic acid, 97+%(645-08-9)
[Sigma Aldrich]

645-08-9(sigmaaldrich)
[TCI AMERICA]

Isovanillic Acid,>98.0%(T)(645-08-9)
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