InChI=1/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3

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Search term: AMZORBZSQRUXNC-UHFFFAOYAA
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Inherent Properties, Identifiers and References

ChemSpider ID:	21106000
Empirical Formula:	C₉H₁₀O₂
Molecular Weight:	150.1745
Nominal Mass:	150 Da
Average Mass:	150.1745 Da
Monoisotopic Mass:	150.06808 Da

Systematic Name:

o-tolyl acetate

SMILES:

O=C(C)Oc1ccccc1C

InChI:

InChI=1/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3

InChIKey:

AMZORBZSQRUXNC-UHFFFAOYAA

Std. InChI:

InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3

Std. InChIKey:

AMZORBZSQRUXNC-UHFFFAOYSA-N

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Supplemental Information

User Data

experimental physchem properties

Boiling Point: 208

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Specific Gravity: 1.046-1.053

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Refraction Index: 1.497-1.503

The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index

miscellaneous

Appearance: Colourless liquid

Visual appearance of the given substance.

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

2-Methylphenyl acetate

acetic acid, 2-methylphenyl ester

1333-46-6 [RN]

2-Methylphenylacetat

533-18-6 [RN]

acetic acid 2-tolyl ester

acetic acid methylphenyl ester

Acetyl o-cresol

o-Cresol acetate

o-Cresylic acetate

More...

ACD/Labs Predicted Properties

ACD/LogP:	2.02	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	2.02	ACD/LogD (pH 7.4):	2.02
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	2	#H bond donors:	0
#Freely Rotating Bonds:	2	Polar Surface Area:	26.3 Å²
Index of Refraction:	1.503	Molar Refractivity:	42.41 cm³
Molar Volume:	143.3 cm³	Polarizability:	16.81 10^-24cm³
Surface Tension:	34.1 dyne/cm	Density:	1.047 g/cm³
Flash Point:	84 °C	Enthalpy of Vaporization:	44.34 kJ/mol
Boiling Point:	207.2 °C at 760 mmHg	Vapour Pressure:	0.228 mmHg at 25°C