Name: DL-3,4-DIHYDROXYPHENYL GLYCOL
SKU: 28822-73-3

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Basic Information

Molecular Structure:
CAS No.:	28822-73-3
Name:	DL-3,4-DIHYDROXYPHENYL GLYCOL
Article Data:	7

Formula:	C₈H₁₀O₄
Molecular Weight:	170.165
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;
EINECS:	249-260-9
Density:	1.481 g/cm³
Melting Point:	128-129oC
Boiling Point:	453.2 °C at 760 mmHg
Flash Point:	236.6 °C
Appearance:	crystalline solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	80.92000
LogP:	0.12350

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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