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

Name
DL-3,4-DIHYDROXYPHENYL GLYCOL
EINECS 249-260-9
CAS No. 28822-73-3
Article Data7
CAS DataBase
Density 1.481 g/cm³
Solubility
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
Appearance crystalline solid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 80.92000
LogP 0.12350

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

Product Name

DL-3,4-DIHYDROXYPHENYL GLYCOL

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

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