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1,2-Benzenediol,4-(1,2-dihydroxyethyl)-

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Name

1,2-Benzenediol,4-(1,2-dihydroxyethyl)-

EINECS 249-260-9
CAS No. 28822-73-3 Density 1.481 g/cm3
PSA 80.92000 LogP 0.12350
Solubility N/A Melting Point 128-129oC
Formula C8H10O4 Boiling Point 453.2 °C at 760 mmHg
Molecular Weight 170.165 Flash Point 236.6 °C
Transport Information N/A Appearance crystalline solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 28822-73-3 (DL-3,4-DIHYDROXYPHENYL GLYCOL) Hazard Symbols IrritantXi
Synonyms

1,2-Benzenediol,4-(1,2-dihydroxyethyl)-, (?à)-;1,2-Ethanediol, 1-(3,4-dihydroxyphenyl)-, (?à)- (8CI);(3,4-Dihydroxyphenyl)ethylene glycol;(?à)-3,4-Dihydroxyphenylglycol;1-(3,4-Dihydroxyphenyl)-1,2-ethanediol;3,4-Dihydroxyphenethyl glycol;3,4-Dihydroxyphenylethyl glycol;4-(1,2-Dihydroxyethyl)-1,2-benzenediol;Ba2775;DL-3,4-Dihydroxyphenylglycol;DOPEG;NSC 92532;

Article Data 7

1,2-Benzenediol,4-(1,2-dihydroxyethyl)- Specification

This chemical is called 1,2-Benzenediol,4-(1,2-dihydroxyethyl)-, and its systematic name is 4-(1,2-dihydroxyethyl)benzene-1,2-diol. With the molecular formula of C8H10O4,  its product categories are Aromatics Compounds; Aromatics; Isotope Labeled Compounds; Metabolites & Impurities. The CAS registry number of this chemical is 28822-73-3. Additionally, it's a labelled metabolite of catecholamines. However, it should be stored at -20 °C.

Other characteristics of the 1,2-Benzenediol,4-(1,2-dihydroxyethyl)- can be summarised as followings: (1)ACD/LogP: -1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.3; (4)ACD/LogD (pH 7.4): -1.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.66; (8)ACD/KOC (pH 7.4): 4.62; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 42.63 cm3; (15)Molar Volume: 114.8 cm3; (16)Polarizability: 16.9×10-24cm3; (17)Surface Tension: 82.3 dyne/cm; (18)Density: 1.481 g/cm3; (19)Flash Point: 236.6 °C; (20)Enthalpy of Vaporization: 75.09 kJ/mol; (21)Boiling Point: 453.2 °C at 760 mmHg; (22)Vapour Pressure: 5.29E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice

You can still convert the following datas into molecular structure: 
1.SMILES: Oc1ccc(cc1O)C(O)CO
2.InChI: InChI=1/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2
3.InChIKey: MTVWFVDWRVYDOR-UHFFFAOYAY

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