2,5-Dimethylbenzaldehyde - CAS 5779-94-2

Catalog:	BB029828
Product Name:	2,5-Dimethylbenzaldehyde
CAS:	5779-94-2
Synonyms:	2,5-dimethylbenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2,5-dimethylbenzaldehyde
Description:	2,5-Dimethylbenzaldehyde (CAS# 5779-94-2) is a useful research chemical.
Molecular Weight:	134.18
Molecular Formula:	C9H10O
Canonical SMILES:	CC1=CC(=C(C=C1)C)C=O
InChI:	InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3
InChI Key:	SMUVABOERCFKRW-UHFFFAOYSA-N
Boiling Point:	104.4-106.4 °C (14 mmHg)
Density:	0.95 g/cm³
Appearance:	Clear colorless to very slightly yellow liquid
MDL:	MFCD00003342
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-112857925-A	Method and device for collecting and analyzing aldehyde and ketone substances in biogas sample	20210127
CN-112255354-A	Characteristic substance for diagnosing Marneffei panuliasis and screening method and application thereof	20200911
CN-112255354-B	Characteristic substance for diagnosing Marneffei panuliasis and screening method and application thereof	20200911
WO-2021136244-A1	Tricyclic compound, and preparation method therefor and medical use thereof	20191230

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
21925713	20111101	Carbonyl compounds in gas and particle phases of mainstream cigarette smoke	The Science of the total environment
22346613	20110101	Characterization of carbonyl compounds in the ambient air of an industrial city in Korea	Sensors (Basel, Switzerland)
19784670	20091101	Floral visitation and reproductive traits of Stamenoid petals, a naturally occurring floral homeotic variant of Capsella bursa-pastoris (Brassicaceae)	Planta
17418627	20071101	Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3,4-dimethylbenzaldehyde	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	120
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1