Related Searches: 1,3,5-Trimethoxybenzene, 1,2,3-Trimethoxybenzene, 1,2,4-Trimethoxybenzene, 1,3,5-Trifluorobenzene, 1,3,5-Trimethyl-benzene, View all

1,3,5-Trimethoxybenzene(CAS No. 621-23-8)

1,3,5-Trimethoxybenzene C9H12O3 (cas 621-23-8) Molecular Structure

621-23-8 Structure

Identification and Related Records

【Name】
1,3,5-Trimethoxybenzene
【Iupac name】
1,3,5-trimethoxybenzene
【CAS Registry number】
621-23-8
【Synonyms】
1,3,5-Trimethoxybenzene/Phloroglucinol trimethyl ether
O,O,O-1,3,5-trimethylresorcinol
Phloroglucinol trimethyl ether
1,3,5-trimethyoxy benzene
【EINECS(EC#)】
210-673-4
【Molecular Formula】
C9H12O3 (Products with the same molecular formula)
【Molecular Weight】
168.19
【Inchi】
InChI=1/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
【Canonical SMILES】
COC1=CC(=CC(=C1)OC)OC
【MOL File】
621-23-8.mol

Chemical and Physical Properties

【Appearance】
white to off-white crystal
【Density】
1.041 g/cm3
【Melting Point】
50-53℃
【Boiling Point】
255℃
【Refractive Index】
1,533
【Flash Point】
85℃
【Water】
insoluble
【Solubilities】
Insoluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29093090
【Storage temp】
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:168.18978 [g/mol]
Molecular Formula:C9H12O3
XLogP3:2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:168.078644
MonoIsotopic Mass:168.078644
Topological Polar Surface Area:27.7
Heavy Atom Count:12
Formal Charge:0
Complexity:91.2
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22
【Safety Statements 】
S24/25
【HazardClass】
4.1
【Hazard Note】

Flammable Solid/Harmful

【PackingGroup 】
III
【Transport】
25kgs

Supplier Location

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Business Type:Manufacturer
Telephone:86-21-60542966

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