3-Methylbenzyl alcohol - CAS 587-03-1
Catalog: |
BB030134 |
Product Name: |
3-Methylbenzyl alcohol |
CAS: |
587-03-1 |
Synonyms: |
(3-methylphenyl)methanol |
IUPAC Name: | (3-methylphenyl)methanol |
Description: | 3-Methylbenzyl alcohol (CAS# 587-03-1) is useful for the synthesis of dialkyl aryl phosphates and dialkyl arylalkyl phosphates which possesses inhibitory activities against acetylcholinesterase (AChE) and butyrylchlorinesterase (BChE). |
Molecular Weight: | 122.16 |
Molecular Formula: | C8H10O |
Canonical SMILES: | CC1=CC(=CC=C1)CO |
InChI: | InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3 |
InChI Key: | JJCKHVUTVOPLBV-UHFFFAOYSA-N |
Boiling Point: | 215 °C (740 mmHg) |
Purity: | 95 % |
Density: | 1.015 g/cm3 |
Appearance: | Clear colourless liquid |
MDL: | MFCD00004646 |
LogP: | 1.48730 |
Vapor Pressure: | 0.01 [mmHg] |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461510-A | Aromatic acid compound and preparation method thereof | 20210804 |
CN-113307733-A | Production method of o-methylbenzoic acid or m-methylbenzoic acid | 20210708 |
CN-113318471-A | Method and system for treating xylene oxidation reaction liquid | 20210708 |
CN-113501754-A | Method for treating o-xylene or m-xylene oxidation reaction liquid | 20210708 |
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PMID | Publication Date | Title | Journal |
22144365 | 20120101 | Engineering whole-cell biosensors with no antibiotic markers for monitoring aromatic compounds in the environment | Methods in molecular biology (Clifton, N.J.) |
23071444 | 20120101 | Increasing signal specificity of the TOL network of Pseudomonas putida mt-2 by rewiring the connectivity of the master regulator XylR | PLoS genetics |
21835728 | 20111201 | A mechanistic modeling framework for predicting metabolic interactions in complex mixtures | Environmental health perspectives |
22078029 | 20111111 | The logic layout of the TOL network of Pseudomonas putida pWW0 plasmid stems from a metabolic amplifier motif (MAM) that optimizes biodegradation of m-xylene | BMC systems biology |
20714442 | 20100615 | Substrate specificity and structural characteristics of the novel Rieske nonheme iron aromatic ring-hydroxylating oxygenases NidAB and NidA3B3 from Mycobacterium vanbaalenii PYR-1 | mBio |
Complexity: | 80.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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