p-Tolyl acetate - CAS 140-39-6

Catalog:	BB009066
Product Name:	p-Tolyl acetate
CAS:	140-39-6
Synonyms:	(4-methylphenyl) acetate

Technical Data

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Computed Properties

IUPAC Name:	(4-methylphenyl) acetate
Description:	p-Tolyl acetate (CAS# 140-39-6 ) is a useful research chemical.
Molecular Weight:	150.17
Molecular Formula:	C9H10O2
Canonical SMILES:	CC1=CC=C(C=C1)OC(=O)C
InChI:	InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
InChI Key:	CDJJKTLOZJAGIZ-UHFFFAOYSA-N
Boiling Point:	210-211 °C
Flash Point:	90°C
Density:	1.047 g/cm³
Solubility:	Other solvents(Soluble) : Propylene glycol
Appearance:	Colorless liquid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00008703
LogP:	1.92030
Refractive Index:	1.501
Vapor Pressure:	0.16 [mmHg]

Publication Number	Title	Priority Date
CN-113200934-A	Compound containing benzomorpholone-biphenyl skeleton and preparation method and application thereof	20210518
CN-113214447-A	Pyridyl-based polybenzoxazine and preparation method and application thereof	20210510
CN-112851538-A	Method for promoting acylation of amine or alcohol by carbon dioxide	20210305
CN-112094222-A	Preparation method of homoallylamine-oxindole compound with optical activity	20200923
CN-111809068-A	Preparation method of ammonium metavanadate for all-vanadium redox flow battery	20200908

PMID	Publication Date	Title	Journal
20307145	20100401	Structure elucidation and inhibitory effects of self-assembled organotin(IV) esters of p-tolyl acetic acid on bacterial, fungal, brine shrimp, and potato tumor cells	Drug and chemical toxicology
12740929	20030705	Multienzyme catalysis in microfluidic biochips	Biotechnology and bioengineering
12459027	20021205	Synthesis and antimycobacterial activity of pyrazine and quinoxaline derivatives	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.068079557
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1