| Identification | More | [Name]
1,3-BENZODIOXOLE-5-GLYCOLIC ACID | [CAS]
27738-46-1 | [Synonyms]
1,3-BENZODIOXOLE-5-GLYCOLIC ACID
3,4-METHYLENEDIOXYMANDELIC ACID
ALPHA-HYDROXY-1,3-BENZODIOXOLE-5-ACETIC ACID
TIMTEC-BB SBB008591
α-hydroxy-1,3-benzodioxole-5-acetic acid
3,4-(METHYLENEDIOXY)MANDELIC ACID 98+%
(1,3-Benzodioxol-5-yl)hydroxyacetic acid | [EINECS(EC#)]
248-628-6 | [Molecular Formula]
C9H8O5 | [MDL Number]
MFCD00043585 | [Molecular Weight]
196.16 | [MOL File]
27738-46-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
158-162 °C | [Boiling point ]
403.5±45.0 °C(Predicted) | [density ]
1.553±0.06 g/cm3(Predicted) | [storage temp. ]
Hygroscopic, Refrigerator, Under inert atmosphere | [solubility ]
Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated) | [form ]
Solid | [pka]
3.39±0.11(Predicted) | [color ]
White to Light Brown | [BRN ]
209546 | [Stability:]
Hygroscopic | [InChI]
1S/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12) | [InChIKey]
CLUJFRCEPFNVHW-UHFFFAOYSA-N | [SMILES]
OC(C(O)=O)c1ccc2OCOc2c1 | [CAS DataBase Reference]
27738-46-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [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 . | [WGK Germany ]
3
| [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
3,4-(Methylenedioxy)mandelic acid was used as starting reagent in the synthesis of (-)cephalotaxine, (+)harringtonine and (-)drupacine. | [Definition]
ChEBI: A 2-hydroxy monocarboxylic acid that is mandelic acid in which positions 3 and 4 on the benzene ring are substituted by a methylenedioxy group. |
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