Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Xanthohumol

Related Products

Hot Products

Name

Xanthohumol

EINECS N/A
CAS No. 6754-58-1 Density 1.244 g/cm3
PSA 86.99000 LogP 4.21680
Solubility N/A Melting Point 157-159oC
Formula C21H22O5 Boiling Point 576.5 °C at 760 mmHg
Molecular Weight 354.403 Flash Point 203.4 °C
Transport Information UN 3077 Appearance Orange powder
Safety 60-61 Risk Codes 50/53
Molecular Structure Molecular Structure of 6754-58-1 (Xanthohumol) Hazard Symbols DangerousN
Synonyms

2-Propen-1-one,1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-,(2E)- (9CI);2-Propen-1-one,1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-,(E)-;Xanthohumol;Xanthahumol;

Article Data 9

Xanthohumol Specification

The Xanthohumol (6CI, 7CI), with the CAS registry number 6754-58-1, is also known as (2E)-1-[2, 4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one. This chemical is a prenylated chalconoid from hops and beer. It belongs to the product category of Flavaniods. This chemical's molecular formula is C21H22O5 and molecular weight is 354.4. What's more, its IUPAC name is (E)-1-[2, 4-Dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one. In addition, Xanthohumol (6CI, 7CI) has a range of biological properties with potential therapeutic utility. Besides, it should be stored at 2-8 °C.

Physical properties about Xanthohumol (6CI, 7CI) are: (1)ACD/LogP: 5.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.17; (4)ACD/LogD (pH 7.4): 4.87; (5)ACD/BCF (pH 5.5): 4961.94; (6)ACD/BCF (pH 7.4): 2530.72; (7)ACD/KOC (pH 5.5): 15327.27; (8)ACD/KOC (pH 7.4): 7817.31; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 102.78 cm3; (15)Molar Volume: 284.8 cm3; (16)Polarizability: 40.74×10-24 cm3; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 203.4 °C; (20)Enthalpy of Vaporization: 89.53 kJ/mol; (21)Boiling Point: 576.5 °C at 760 mmHg; (22)Vapour Pressure: 6.82E-14 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Hence, this material and its container must be disposed of as hazardous waste. In addition, you should avoid release it to the environment. During using it, refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1c(OC)cc(O)c(c1O)C/C=C(\C)C)\C=C\c2ccc(O)cc2
(2) InChI: InChI=1/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
(3) InChIKey: ORXQGKIUCDPEAJ-YRNVUSSQBQ

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 6754-58-1