CAS 65-85-0 Benzoic Acid Zone Refined (number of passes:20)

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Benzoic Acid Zone Refined (number of passes:20)

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Catalog Number

ACM65850

Product Name

Benzoic Acid Zone Refined (number of passes:20)

Structure

CAS

65-85-0

Category

Other Material Building Blocks

Description

Benzoic acid appears as a white crystalline solid. Slightly soluble in water. The primary hazard is the potential for environmental damage if released. Immediate steps should be taken to limit spread to the environment. Used to make other chemicals, as a food preservative, and for other uses.;DryPowder; Liquid; OtherSolid; PelletsLargeCrystals;White crystalline powder;Solid;Solid;WHITE CRYSTALS OR POWDER.;white crystal scales or needles with a faint urine, almond odour

IUPAC Name

benzoic acid

Molecular Weight

122.12g/mol

Molecular Formula

C7H6O2;C7H6O2;C6H5COOH;C6H5COOH;C7H6O2

Canonical SMILES

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

InChI

InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

InChI Key

WPYMKLBDIGXBTP-UHFFFAOYSA-N

Boiling Point

480 °F at 760 mm Hg (NTP, 1992);249.2 °C;249.2 °C at 760 mm Hg;249 °C

Melting Point

252.3 °F (NTP, 1992);122.4 °C;121,5 - 123,5 °C;Mp 122 °;122.35 °C;122.4°C;122 °C

Flash Point

250 °F (NTP, 1992);250 °F (121 °C) (closed cup);121 °C c.c.

Density

1.316 at 82.4 °F (USCG, 1999);1.2659 g/cu cm at 15 °C;1.3 g/cm³;Relative density of the vapour/air-mixture at 20 °C (air = 1): 1

Solubility

less than 1 mg/mL at 68° F (NTP, 1992);0.02 M;3.4 mg/mL at 25 °C;In water, 3.5X10+3 mg/L at 25 °C;1 g dissolves in: 2.3 mL alcohol (cold), 1.5 mL alcohol (boiling), 4.5 mL chloroform, 3 mL ether, 3 mL acetone, 30 mL carbon tetrachloride,10 mL benzene, 30 mL carbon disulfide, 23 mL oil of turpentine. Also soluble in volatile and fixed oils; slightly soluble in petroleum ether;0.29 g/L of benzoic acid in water at 20 °C;Acetone 55.6 g/L, benzene 12.2 g/L, carbone tetrachloride 4.1g/L, chloroform 15g/L, ethanol 58.4 g/L, ethyl ether 40.8 g/L, hexane 0.9 g/L methanol 71.5 g/L, toluene 10.6 g/L;3.4 mg/mL at 25 °C;Solubility in water, g/100ml at 20 °C: 0.29;insoluble in cold water; moderately soluble in hot water; soluble in oils and glycerol;very soluble (in ethanol)

Color/Form

Monoclinic tablets, plates, leaflets;White scales or needle crystals;Monoclinic leaflets or needles

Complexity

104

Covalently-Bonded Unit Count

EC Number

200-618-2;200-618-2;214-089-0

Exact Mass

122.036779g/mol

Formal Charge

Heat of Vaporization

534 KJ/mol at 140 °C, 425 Kj/mol at 249 °C

Heavy Atom Count

ICSC Number

0103

Log P

1.87 (LogP);1.87;log Kow = 1.87;1.87;1.87

MeSH Entry Terms

Acid, Benzoic;Benzoate, Potassium;Benzoic Acid;Potassium Benzoate;Ucephan

Monoisotopic Mass

122.036779g/mol

NSC Number

758203;149

Odor

Odorless or with a slight benzaldehyde odor;FAINT, PLEASANT ODOR

Other Experimental

Partially sublimes at 100 °C;Mixtures of excess benzoic acid & water form 2 liquid phases beginning at 89.7 °C; the two phases unite at critical solution temperature of 117.2 °C; solubility in water increased by alkaline substances.;Heat of fusion: 18.2 kJ/mol;Monomer & dimer models for solubility of benzoic acid in simple binary and ternary solvents are reported.;Congeals between 121-123 °C;Specific heat: 1.1966 J/g; 1.774 J/g (liquid); Heat of formation at 26.16 °C: -3885 kJ/mol (solid);Pressure coefficient of freezing temp, -0.039 °C/101.3 kPa (= °C/atm);White flakes /USP or technical grade/;Light tan chips or solid /Industrial grade/;Volatile with steam;Volatile at warm temperatures.;Sp gr: 1.316 at 24 °C/4 °C (solid); 1.029 at 180 °C/4 °C (liquid);Benzoic acid salts[Table#2005];Hydroxyl radical reaction rate constant 1.2X10-12 cu cm/molec-sec /Estimated/

Refractive Index

Index of refraction = 1.504 at 132 °C/D

Rotatable Bond Count

RTECS Number

DG0875000

Stability

A 0.1% w/v aqueous solution of benzoic acid has been reported to be stable for at least 8 weeks when stored in polyvinyl chloride bottels, at room temperature.;During trasport: stable

UNII

8SKN0B0MIM

UN Number

3077

Vapor Density

4.21 (NTP, 1992) (Relative to Air);4.21 (Air = 1);Relative vapor density (air = 1): 4.2

Vapor Pressure

1 mm Hg at 205 °F (NTP, 1992);7.00e-04 mmHg;7.0X10-4 mm Hg at 25 °C;Vapor pressure, Pa at 25 °C: 0.1

Viscosity

1.26 cP at 130 °C

XLogP3

1.9