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Home> Encyclopedia > Hot Product Listed 1   > 1,3,5-Trimethoxybenzene
621-23-8 structure

1,3,5-Trimethoxybenzene

Iupac Name:1,3,5-trimethoxybenzene
CAS No.:621-23-8
EINECS(EC#): 210-673-4
Molecular Weight:168.192
Molecular Formula:C9H12O3 (isomer)
Names and Identifiers
Synonyms

00VJI3VG3D 1,3,5 -trimethoxybenzene 1,3,5-trimethoxy benzene 1,3,5-trimethoxy-benzene 1,3,5-trimethoxybenzene (jan) 1,3,5-Trimethoxybenzene, 99% 1,3,5-trimethoxybenzene, reagentplus(r), >=99% 1,3,5-trimethoxybenzene, standard for quantitative nmr, tracecert(r) 1,3,5-trimethoxybenzene, vetec(tm) reagent grade, 98% 1,3,5-Trimethoxybenzene/Phloroglucinol trimethyl ether 1,3,5-trimethoxybenzol 1,3,5-trimethyoxy benzene 1,3,5-trimethyoxybenzene 1,5-trimethoxybenzene 1,5-trimethyoxybenzene 2,4,6-trimethoxy-benzene 4-06-00-07362 (beilstein handbook reference) 621-23-8 A833592 AB0007050 AB1008241 AC1L2BK8 ACMC-1BB8M ACT04949 AJ-20506 AK112024 AKOS000120577 AN-21987 ANW-34066 AS04446 AS-10870 benzene, 1,3,5-trimethoxy- BRD-K81884069-001-02-8 BRD-K81884069-001-03-6 brn 1307993 BSPBIO_002819 CAS-621-23-8 CCG-39953 CHEBI:31038 CHEMBL1605492 CJ-03164 CS-W009141 CT0057 CTK2F2828 D01792 dsstox_cid_25963 dsstox_gsid_45963 dsstox_rid_81259 DTXSID0045963 einecs 210-673-4 FT-0606514 HMS1763E15 HMS1923E11 I01-2537 InChI=1/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H KB-10233 KBIO2_001884 KBIO2_004452 KBIO2_007020 KBIO3_002039 KBIOGR_001765 KBIOSS_001884 KS-00000EWX KSC352Q2R LKUDPHPHKOZXCD-UHFFFAOYSA-N LS-32251 MCULE-9726275673 mfcd00008385 MFCD00008385 (98%) MLS002207155 MOLPORT-001-759-537 MP-2133 NCGC00095239-01 NCGC00095239-02 NCGC00095239-03 NCGC00095239-05 NCIOPEN2_001419 nsc 90060 nsc90060 nsc-90060 o,o,o-1,3,5-trimethylresorcinol OR011248 P0250 phloroglucinol trimethyl ether PUBCHEM16522 Q-200071 RL04359 RP23091 RTR-021353 SC-17623 SCHEMBL28493 smr001306732 SPBIO_000412 SPECTRUM_001404 SPECTRUM2_000426 SPECTRUM231043 SPECTRUM3_001030 SPECTRUM4_001163 SPECTRUM5_001766 ST2414784 ST50406630 SY018307 sym-trimethoxybenzene TL8004038 tox21_111489 tox21_111489_1 TR-021353 TRA-0189713 unii-00vji3vg3d UNII-5PPX04J036 COMPONENT LKUDPHPHKOZXCD-UHFFFAOYSA-N ZB011378 ZINC388241

Inchi
InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
InChkey
LKUDPHPHKOZXCD-UHFFFAOYSA-N
Canonical Smiles
COC1=CC(=CC(=C1)OC)OC
Isomers Smiles
COC1=CC(=CC(=C1)OC)OC
Properties
Appearance
white to off-white crystal
Density
1.041
Melting Point
50-53℃
Boiling Point
255℃
Refractive Index
1,533
Flash Point
85℃
Solubility
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.
Safety and Handling
Hazard Codes
Xn
Risk Statements
R22
Safety Statements
S24/25
HazardClass
4.1
PackingGroup
III
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:168.192g/mol
  • Molecular Formula:C9H12O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:2
  • Exact Mass:168.079
  • Monoisotopic Mass:168.079
  • Complexity:91.2
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:27.7A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAACASAkAIyBoAABACA ACBCAAACCAAgIAAAiAAGCIgMJyKEMRqAMCAlwBUIqAeAYAwAAAAACAAAAAAAAAAQAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-88938652
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
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  • Tel:86-571-87396430
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  • Tel:86-531-88110457
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