ChemicalBook--->CAS DataBase List--->99-10-5

99-10-5

99-10-5 Structure

99-10-5 Structure
IdentificationMore
[Name]

3,5-Dihydroxybenzoic acid
[CAS]

99-10-5
[Synonyms]

3,5-DIHYDROXYBENZOIC ACID
ALPHA-RESERCYLIC ACID
ALPHA-RESORCYLIC ACID
A-RESORCYLIC ACID
DOHBA
RARECHEM AL BO 0348
RESORCINOL-5-CARBOXYLIC ACID
3,5-dihydroxy-benzoicaci
5-carboxyresorcinol
Benzoicacid,3,5-dihydroxy-
3,5-DihydroxybenzoicAcid98%
3,5-Dihydroxybenzoic
à-resorcylic acid
3,5-Dihydroxybenzoesure
3,5-DIHYDROXYBENZOIC ACID/A-RESORCYLIC ACID
3,5-DIHYDROXYL BENZOIC ACID,99%
3,5-DIHYDROXYBENZOIC ACID 99+%
[EINECS(EC#)]

202-730-7
[Molecular Formula]

C7H6O4
[MDL Number]

MFCD00002512
[Molecular Weight]

154.12
[MOL File]

99-10-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

236-238 °C (dec.) (lit.)
[Boiling point ]

237.46°C (rough estimate)
[bulk density]

700kg/m3
[density ]

1.3725 (rough estimate)
[refractive index ]

1.6400 (estimate)
[Fp ]

200 °C
[storage temp. ]

Store below +30°C.
[solubility ]

Soluble in 50 mg/mL, 95% Ethanol.
[form ]

Powder
[pka]

4.04(at 25℃)
[color ]

Off-white to beige
[PH]

2.3 (10g/l, H2O, 25℃)
[Water Solubility ]

84 g/L (20 ºC)
[BRN ]

2207864
[InChI]

1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
[InChIKey]

UYEMGAFJOZZIFP-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cc(O)cc(O)c1
[LogP]

0.860
[CAS DataBase Reference]

99-10-5(CAS DataBase Reference)
[EPA Substance Registry System]

Benzoic acid, 3,5-dihydroxy- (99-10-5)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-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 ]

1
[RTECS ]

VH3708000
[Autoignition Temperature]

>500 °C DIN 51794
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29182990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
[Toxicity]

LD50 orally in Rabbit: 4160 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Fuming sulfuric acid-->Benzoic acid
[Preparation Products]

3,5-Dimethoxybenzoic acid-->Olivetol-->Methyl 3,5-dimethoxybenzoate-->Methyl 3,5-dihydroxyphenylacetate-->methyl 3,5-dihydroxy-4-iodobenzoate-->3,5-Dimethoxybenzoyl chloride-->Methyl 3,5-dibenzyloxybenzoate-->3,5-Dimethoxybenzyl chloride-->3,5-Diacetoxybenzoic acid-->3,5-Bis[(trimethylsilyl)oxy]benzoic acid methyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

alpha-Resorcylic acid(99-10-5).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

3,5-Dihydroxybenzoic Acid is a metabolite of alkylresorcinol in human urine and plasma. 3,5-Dihydroxybenzoic Acid is also used as biomarker of whole grain wheat and rye.
[Definition]

ChEBI: A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 5.
[Synthesis]

3,5-Dihydroxybenzoic Acid is obtained by alkali melt of 3,5- disulfobenzoic acid.
[storage]

Store at RT
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Dihydroxybenzoic acid(99-10-5)MS
3,5-Dihydroxybenzoic acid(99-10-5)1HNMR
3,5-Dihydroxybenzoic acid(99-10-5)13CNMR
3,5-Dihydroxybenzoic acid(99-10-5)IR1
3,5-Dihydroxybenzoic acid(99-10-5)IR2
3,5-Dihydroxybenzoic acid(99-10-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Dihydroxybenzoic acid, 97%(99-10-5)
[Alfa Aesar]

3,5-Dihydroxybenzoic acid, 98%(99-10-5)
[Sigma Aldrich]

99-10-5(sigmaaldrich)
[TCI AMERICA]

3,5-Dihydroxybenzoic Acid,>98.0%(GC)(T)(99-10-5)
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