1,3,5-Trimethoxybenzene - CAS 621-23-8
Catalog: |
BB031423 |
Product Name: |
1,3,5-Trimethoxybenzene |
CAS: |
621-23-8 |
Synonyms: |
1,3,5-trimethoxybenzene |
IUPAC Name: | 1,3,5-trimethoxybenzene |
Description: | 1,3,5-Trimethoxybenzene (CAS# 621-23-8) is a major scent component of the Chinese rose odour. 1,3,5-Trimethoxybenzene is also a useful synthetic intermediate and is used to synthesize triaryl- and triheteroarylmethanes. |
Molecular Weight: | 168.19 |
Molecular Formula: | C9H12O3 |
Canonical SMILES: | COC1=CC(=CC(=C1)OC)OC |
InChI: | InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3 |
InChI Key: | LKUDPHPHKOZXCD-UHFFFAOYSA-N |
Boiling Point: | 255 °C |
Melting Point: | 50-53 °C |
Purity: | 95 % |
Density: | 1.041 g/cm3 |
Appearance: | White to off-white crystal |
Storage: | 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. |
MDL: | MFCD00008385 |
LogP: | 1.71240 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021119375-A1 | Refrigerant compositions comprising r-32, r-134a, and cf3i | 20191212 |
WO-2021118976-A1 | M. tuberculosis ag85 proteins and methods of use | 20191209 |
WO-2021110525-A1 | Method for determining authenticity and adulteration of marked petroleum hydrocarbons | 20191203 |
WO-2021108202-A1 | Modified viral therapeutics and uses thereof | 20191125 |
WO-2021086804-A1 | Heat transfer fluids for use in low temperature chiller applications | 20191028 |
PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
22707000 | 20121101 | Quantitative NMR: an applicable method for quantitative analysis of medicinal plant extracts and herbal products | Phytochemical analysis : PCA |
23002789 | 20121019 | Silver(I)-catalyzed deprotection of p-methoxybenzyl ethers: a mild and chemoselective method | The Journal of organic chemistry |
22475263 | 20120502 | Stereoselective assembly of complex oligosaccharides using anomeric sulfonium ions as glycosyl donors | Journal of the American Chemical Society |
22211432 | 20120221 | Assessing the reactivity of free chlorine constituents Cl₂, Cl₂O, and HOCl toward aromatic ethers | Environmental science & technology |
Complexity: | 91.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Oxygen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS