3,5-Dimethylbenzyl alcohol - CAS 27129-87-9
Catalog: |
BB019474 |
Product Name: |
3,5-Dimethylbenzyl alcohol |
CAS: |
27129-87-9 |
Synonyms: |
(3,5-dimethylphenyl)methanol |
IUPAC Name: | (3,5-dimethylphenyl)methanol |
Description: | 3,5-Dimethylbenzyl alcohol (CAS# 27129-87-9) is used in preparation of Aromatic Aldehyde. |
Molecular Weight: | 136.19 |
Molecular Formula: | C9H12O |
Canonical SMILES: | CC1=CC(=CC(=C1)CO)C |
InChI: | InChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3 |
InChI Key: | IQWWTJDRVBWBEL-UHFFFAOYSA-N |
Boiling Point: | 218 °C |
Melting Point: | 218-221 °C (lit.) |
Purity: | 95 % |
Density: | 0.927 g/mL at 25 °C (lit.) |
MDL: | MFCD00004648 |
LogP: | 1.79570 |
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PMID | Publication Date | Title | Journal |
21072026 | 20101111 | Oligomerization of 3,5-dimethyl benzyl alcohol promoted by clay: experimental and theoretical study | Molecules (Basel, Switzerland) |
11558609 | 20010901 | Synthesis and hypnotic activities of 4-thio analogues of N3-substituted uridines | Chemical & pharmaceutical bulletin |
Complexity: | 90.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.088815002 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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