3,5-Dimethylbenzaldehyde - CAS 5779-95-3

Catalog:	BB029829
Product Name:	3,5-Dimethylbenzaldehyde
CAS:	5779-95-3
Synonyms:	3,5-dimethylbenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3,5-dimethylbenzaldehyde
Description:	3,5-Dimethylbenzaldehyde (CAS# 5779-95-3) is a useful research chemical.
Molecular Weight:	134.18
Molecular Formula:	C9H10O
Canonical SMILES:	CC1=CC(=CC(=C1)C=O)C
InChI:	InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3
InChI Key:	NBEFMISJJNGCIZ-UHFFFAOYSA-N
Boiling Point:	220-222 °C
Melting Point:	41861 °C
Purity:	95 %
Density:	0.998 g/cm³
Appearance:	Colorless transparent liquid
MDL:	MFCD00082777
LogP:	2.11590

Publication Number	Title	Priority Date
CN-113373442-A	Zinc-cadmium alloy composite coating of aerospace electrical appliance accessory and preparation method thereof	20210611
CN-113201027-A	Metal complex and application thereof	20210520
CN-112941549-A	Synthetic method of quinazoline derivative, benzoxazine derivative and benzothiazole derivative	20210226
CN-111960936-A	Reaction method for selectively synthesizing aromatic aldehyde or aromatic carboxylic acid	20200803
CN-111606823-A	Method for converting aromatic aldehyde into aromatic nitrile by using inorganic ammonium as nitrogen source and promoted by sulfur powder	20200624

PMID	Publication Date	Title	Journal
22380656	20120501	Biodegradation of kraft lignin by a bacterial strain Comamonas sp. B-9 isolated from eroded bamboo slips	Journal of applied microbiology
22606140	20120401	(3,5-Dimethyl-phen-yl)[8-(3,5-dimethyl-benzo-yl)-2,7-dimeth-oxy-naphthalen-1-yl]methanone	Acta crystallographica. Section E, Structure reports online
21804944	20110101	Direct spectrophotometric assay for benzaldehyde lyase activity	Biotechnology research international

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[1431966-64-1]
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[865774-78-3]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): 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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.073164938
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.073164938
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2