Basic information
- CAS
130-78-9- Standard SMILES
CCC(c1ccc(OC)cc1)C(CC)c1ccc(OC)cc1- InChIKey
VKVVHAKNGMXJDU-UHFFFAOYSA-N- Molecular formula
- C20H26O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.19328007
Overview
structure
Names & identifiers
- Preferred name
- 3,4-Bis(4-methoxyphenyl)hexane
- IUPAC
- 1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene
- English name
- 4,4'-(1,2-diethylethylene)bis(anisole)
- Molecular formula
- C20H26O2
- Molecular weight
- 298.42
Names & synonyms
Hexestrol dimethyl ether130-78-9alpha,alpha'-Diethyl-4,4'-dimethoxybibenzylRefChem:1463033,4-Bis(4-methoxyphenyl)hexane204-993-33,4-Di(p-methoxyphenyl)hexane1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzeneNSC 34403Hexane, 3,4-bis(4-methoxyphenyl)-Anisole, 4,4'-(1,2-diethylethylene)di-4,4/'-(1,2-diethylethylene)bis(anisole)
Show more names
1,1'-Hexane-3,4-diylbis(4-methoxybenzene)Benzene, 1,1-(1,2-diethyl-1,2-ethanediyl)bis4-methoxy-Inchi=1/C20H26o2/C1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/H7-14,19-20H,5-6H2,1-4h
Benzene, 1,1'-(1,2-diethyl-1,2-ethanediyl)bis(4-methoxy-Benzene, 1,1'-(1,2-diethyl-1,2-ethanediyl)bis[4-methoxy-4,4'-(1,2-Diethylethylene)bis(anisole)EINECS 204-993-3Hexestrol, dimethyl etherHexane,4-bis(p-methoxyphenyl)-SCHEMBL28217716Hexane,4-bis(4-methoxyphenyl)-
Database identifiers
- CAS
130-78-9
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 146 °C · 146 °C
- Boiling point
- 175 · 175-185 °C(Press: 5 Torr)
- Density
- 0.999 · 0.999±0.06 g/cm3(Predicted)
- solubility
- soluble in Chloroform
- form
- Liquid
- color
- Pale Yellow
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationBenzene, 1,1'-(1,2-diethyl-1,2-ethanediyl)bis[4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Applications
UsesHexestrol-d4 Dimethyl Ether is an intermediate in the synthesis of Hexestrol-d4 (H295303). Estrogen; antineoplastic (hormonal).
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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