Benzoic acid, ethenylester

Inquiry

Molecular Formula:

C9H8 O2

Molecular Weight:

148.17

CAS Number:

769-78-8

Catalog Number:

769-78-8

Product Information

Molecular Formula:

C9H8 O2

Molecular Weight:

148.17

Description

Applications: VINYL BENZOATE is a useful research chemical.

Synonyms

BENZOIC ACID VINYL ESTER; VINYL BENZOATE; VINYL BENZOATE, 99+%; VINYL BENZOATE, STAB.; Benzoic acid, ethenyl ester (9CI); BENZOIC ACID VINYL ESTER (STABILIZED WITH HQ); Vinyl Benzoate (stabilized with MEHQ); Benzoic acid vinyl

IUPAC Name

ethenyl benzoate

Canonical SMILES

C=COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2

InChI Key

KOZCZZVUFDCZGG-UHFFFAOYSA-N

Boiling Point

95-96 ℃/20 mmHg (lit.)

Melting Point

-32 ℃

Flash Point

82 ℃

Purity

>99.0%(GC)

Density

1.07 g/mL at 25 °C(lit.)

Appearance

Colorless to Almost colorless clear liquid

Refractive Index

n20/D 1.529 (lit.)

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

2.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

148.052429494 g/mol

Monoisotopic Mass

148.052429494 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

146

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Benzoic acid, ethenylester

Product Information

Safety Information

Computed Properties

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