Mesitaldehyde - CAS 487-68-3
Catalog: |
BB026590 |
Product Name: |
Mesitaldehyde |
CAS: |
487-68-3 |
Synonyms: |
2,4,6-trimethylbenzaldehyde |
IUPAC Name: | 2,4,6-trimethylbenzaldehyde |
Description: | Mesitaldehyde (CAS# 487-68-3) is a compound useful in organic synthesis. |
Molecular Weight: | 148.20 |
Molecular Formula: | C10H12O |
Canonical SMILES: | CC1=CC(=C(C(=C1)C)C=O)C |
InChI: | InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3 |
InChI Key: | HIKRJHFHGKZKRI-UHFFFAOYSA-N |
Boiling Point: | 237 °C |
Melting Point: | 14 °C |
Purity: | 98 % |
Density: | 1.005 g/cm3 |
Solubility: | 106 mg/L at 25 °C (est) |
Appearance: | Light yellow liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00003341 |
LogP: | 2.42430 |
GHS Hazard Statement: | H315 (97.96%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.96%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
27633901 | 20161201 | Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays | Toxicology in vitro : an international journal published in association with BIBRA |
22412752 | 20120301 | [8-(4-Chloro-benzo-yl)-2,7-dimeth-oxy-naphthalen-1-yl](2,4,6-trimethyl-phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
22259511 | 20120101 | [2,7-Dimeth-oxy-8-(2,4,6-trimethyl-benzo-yl)naphthalen-1-yl](2,4,6-trimethyl-phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
22091033 | 20110801 | (E)-4-Chloro-N-(2,4,6-trimethyl-benzyl-idene)aniline | Acta crystallographica. Section E, Structure reports online |
22091186 | 20110801 | N,N'-Bis[(E)-2,4,6-trimethyl-benzyl-idene]ethane-1,2-diamine | Acta crystallographica. Section E, Structure reports online |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.088815002 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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