Mesitaldehyde - CAS 487-68-3

Catalog:	BB026590
Product Name:	Mesitaldehyde
CAS:	487-68-3
Synonyms:	2,4,6-trimethylbenzaldehyde

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

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

Publication Number	Title	Priority Date
CN-113337923-A	Core-shell type low-dielectric-resistance flame-retardant polyimide-based fiber material and preparation method thereof	20210528
CN-113416981-A	Triphenylamine-based cobalt porphyrin catalyst and preparation method and application thereof	20210512
CN-112940034-A	Method for catalytic synthesis of benzoylphosphine oxide compound	20210205
CN-112940032-A	Preparation method of benzyl thiophosphonate	20210130
CN-112574084-A	Waste liquid treatment process and device in TPO production process	20201228

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

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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

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