p- cresyl acetate

p- cresyl acetate
Compound Structure:
Synonyms: p-Tolyl acetate ;p-Cresyl acetate ;140-39-6 ;Acetic acid, 4-methylphenyl ester ;4-Tolyl acetate
Compound ID: NMPC-1373
PubChem ID:

8797
Molecular Formula: C9H10O2
Canonical SMILES: CC1=CC=C(C=C1)OC(=O)C
InChIKey: CDJJKTLOZJAGIZ-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

150.17 g/mol

XLogP3

2.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

150.068079557 g/mol

Monoisotopic Mass

150.068079557 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

135

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colorless liquid;

Boiling Point

208.00 to 212.00 °C. @ 760.00 mm Hg

Density

1.044-1.052

Solubility 

slightly soluble in water; soluble in oils

Vapor Pressure

0.16 [mmHg]

Source: PubChem                        
Source Species: Acalypha ornata.
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