CAS 108-46-3 Resorcinol - Materials / Alfa Chemistry

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Heat & Pressure Sensitive Dyes

Resorcinol

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Catalog Number

ACM108463-3

Product Name

Resorcinol

Structure

CAS

108-46-3

Category

Heat & Pressure Sensitive Dyes

Description

Resorcinol is a very white crystalline solid that becomes pink on exposure to light if not completely pure. Burns although ignition is difficult. Density approximately 1.28 g / cm³. Irritating to skin and eyes. Toxic by skin absorption. Used to make plastics and pharmaceuticals.;DryPowder; Liquid; OtherSolid; PelletsLargeCrystals;Solid;WHITE CRYSTALS. TURNS PINK ON EXPOSURE TO AIR AND LIGHT OR ON CONTACT WITH IRON.;White needle-like crystals;White needles, plates, crystals, flakes, or powder with a faint odor. Turns pink on exposure to light if not completely pure.;White needles, plates, crystals, flakes, or powder with a faint odor. [Note: Turns pink on exposure to air or light, or contact with iron.]

IUPAC Name

benzene-1,3-diol

Molecular Weight

110.11g/mol

Molecular Formula

C6H6O2;C6H6O2

Canonical SMILES

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

InChI

InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

InChI Key

GHMLBKRAJCXXBS-UHFFFAOYSA-N

Boiling Point

531 to 536 °F at 760 mm Hg (NTP, 1992);280.0 °C;280 °C, but volatilizes at lower temperature and is slightly volatile with steam;280 °C;531°F;531°F

Melting Point

228 to 232 °F (NTP, 1992);111.0 °C;Mp 111 °;109.8 °C;111°C;110 °C;228-232°F;228°F

Flash Point

261 °F (NTP, 1992);261 °F (Closed cup);127 °C (261 °F) (Closed cup);261 °F (127 °C) (Closed cup);127 °C c.c.;261°F;261°F

Density

1.2 at 68 °F (USCG, 1999);1.278 g/cu cm at 20 °C;1.28 g/cm³;1.27 at 68°F;1.27

Solubility

greater than or equal to 100 mg/mL at 65.3° F (NTP, 1992);6.51 M;717 mg/mL at 25 °C;In water, 7.17X10+5 mg/L at 25 °C;1 g dissolves in 0.9 mL water at room temperature, 0.2 mL water at 80 °C;1 g dissolves in 0.9 mL alcohol; freely soluble in ether, glycerol; slightly soluble in chloroform;Very soluble in carbon tetrachloride; soluble in ethanol, ethyl ether; slightly soluble in benzene, chloroform;Soluble in DMSO /dimethyl sulfoxide/, acetone at greater than or equal to 100 mg/mL at 18 °C;717 mg/mL at 25 °C;Solubility in water, g/100ml: 140;soluble in water;moderately soluble (in ethanol);110%

Color/Form

White needle-like crystals;Needles from benzene; platelets from water;Rhombic tablets and pyramids;Platelets from ethanol. Very white crystals;It exists in at least two crystalline modifications. Crystalline resorcinol turns pale red in the presence of light and air and is hygroscopic. It is miscible in water.;White needles, plates, crystals, flakes, or powder [Note: Turns pink on exposure to air or light, or contact with iron]

Complexity

64.9

Covalently-Bonded Unit Count

EC Number

203-585-2;500-056-0

Exact Mass

110.036779g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1033

Log P

0.8 (LogP);0.80;log Kow = 0.80;0.80;0.79-0.93

MeSH Entry Terms

resorcin;resorcinol;resorcinol disodium salt;resorcinol, monocopper (2+) salt

Monoisotopic Mass

110.036779g/mol

NSC Number

757310;1571

Odor

Faint, characteristic odor

Other Experimental

Density of saturated air: 1.0739 (Air = 1); Percent in saturated air: 2.64% by volume (25 °C);Density, solid (g/cu cm; 20 °C): 1.278 (alpha-phase), 1.327 (beta phase); Density aqueous solution (5.0 mol/L, 20 °C): 1.1101 g/cu cm;Heat of fusion at mp: 21.0 kJ/mol; Heat of vaporization (kJ/mol): 78.2 at 110 °C, 75.2 at 150 °C, 72.0 at 190 °C;Crystals; MP 109.1 °C /USP XX/;White flakes, crystals, or powder /Technical/;1 mg/L = 222.3 ppm; 1 ppm = 0.00450 mg/L at 25 °C 760 mm Hg;Resorcinol crystallizes in the orthorhombic hemimorphic system, and its crystals are colorless, triboluminescent, and piezoelectric. X-ray diffraction measurements indicate that resorcinol crystallizes in the form which is converted to the BETA form at 74 °C; the latter is more dense (d= 1.33 g/cu cm), as a result of hydrogen bonding between oriented molecules in the crystal lattice.;Vapor pressure = 1 mm Hg at 108.4 °C;Golden-yellow, thick, syrupy, oily liquid. BP approximately 283 °C with decomposition. Insoluble in water. Miscible with alcohol, benzene, chloroform, acetone. Soluble in solutions of alkali hydroxides /Resorcinol monoacetate/;Henry's Law constant = 9.88X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.0X10-10 cu cm/molecule-sec at 25 °C (est)

Refractive Index

Index of refraction = 1.578 at 25 °C/D

Rotatable Bond Count

RTECS Number

VG9625000

Stability

Hygroscopic;Stable under recommended storage conditions.

UNII

YUL4LO94HK

UN Number

2876;2876;2876;2876;2876

Vapor Density

3.79 (NTP, 1992) (Relative to Air);3.79 (Air = 1);3.79

Vapor Pressure

1 mm Hg at 227.1 °F ; 0.0002 mm Hg at 77° F (NTP, 1992);4.89e-04 mmHg;4.89X10-4 mm Hg at 25 °C;Vapor pressure, Pa at 20 °C: 0.065;0.0002 mmHg at 77°F;(77°F): 0.0002 mmHg

XLogP3

0.8

MSDS

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COA

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Spec Sheet

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