CAS 119-53-9 Benzoin Zone Refined (number of passes:40)

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Benzoin Zone Refined (number of passes:40)

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Catalog Number

ACM119539-1

Product Name

Benzoin Zone Refined (number of passes:40)

Structure

CAS

119-53-9

Category

Other Material Building Blocks

Description

Benzoin is an off-white to yellow-white crystalline solid with an odor of camphor. Slightly acrid taste. When broken the fresh surfaces have a milky-white color. (NTP, 1992);DryPowder;Solid;WHITE-TO-YELLOW CRYSTALS.;white to light yellow crystals with a faint, sweet, balsamic odour

IUPAC Name

2-hydroxy-1,2-diphenylethanone

Molecular Weight

212.24g/mol

Molecular Formula

C14H12O2;C6H5COCH(OH)C6H5;C14H12O2

Canonical SMILES

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H

InChI Key

ISAOCJYIOMOJEB-UHFFFAOYSA-N

Boiling Point

651 °F at 760 mm Hg (NTP, 1992);344.0 °C;at 102.4kPa: 344 °C

Melting Point

279 °F (NTP, 1992);134-138;137.0 °C;137 °C;137°C;137 °C

Density

1.31 at 68 °F (NTP, 1992);1.31 g/cm³

Solubility

less than 0.1 mg/mL at 64° F (NTP, 1992);0.00 M;0.3 mg/mL at 25 °C;SOL IN WARM ALCOHOL & CARBON DISULFIDE; INSOL IN WATER;0.3 mg/mL at 25 °C;Solubility in water, g/100ml: 0.03;insoluble in water; slightly soluble in hot water, oils;slightly soluble (in ethanol)

Color/Form

PALE YELLOW CRYSTALS;WHITE CRYSTALS;REDDISH-BROWN GLOBULES

Complexity

225

Covalently-Bonded Unit Count

EC Number

204-331-3;232-523-7;209-441-5;232-556-7

Exact Mass

212.08373g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1214

Log P

2.13 (LogP)

MeSH Entry Terms

2 hydroxy 1,2 diphenylethanone;2-hydroxy-1,2-diphenylethanone;Benzoin

Monoisotopic Mass

212.08373g/mol

NSC Number

8082

Odor

SWEET NON-DESCRIPT ODOR;VANILLA-LIKE ODOR

Other Experimental

REDUCES FEHLING'S SOLN /DL-FORM/;NEEDLES FROM METHANOL /L-FORM/; NEEDLES /D-FORM/;SIX-SIDED MONOCLINIC PRISMS FROM ALCOHOL /DL-FORM/;BP:344 °C @ 768 MM HG; MP:137 °C; DENSITY: 1.310 @ 20 °C/4 °C /DL-FORM/;SOL IN 3335 PARTS WATER, MORE SOL IN HOT WATER; SOL IN 5 PARTS PYRIDINE; ACETONE; SOL IN BOILING ALC; SLIGHTLY SOL IN ETHER /DL-FORM/;SOL IN HOT METHANOL; SOL IN HOT ALCOHOL; ACETONE /D & L-FORMS/;SOL IN PYRIDINE /D-FORM/;SPECIFIC OPTICAL ROTATION: -117.5 DEG @ 12 °C/D (ACETONE, 1.25%) /L-FORM/;SPECIFIC OPTICAL ROTATION: +92.8 DEG @ 15 °C/D (PYRIDINE, 1%) /D-FORM/;MAX ABSORPTION (ETHANOL): 247 NM (E= 14,500); MAX ABSORPTION (CHLOROFORM): 2.88, 5.93, 6.21, 6.28, 6.85 NM (IR) /DL-FORM/;MAX ABSORPTION (ALCOHOL): 248 NM (LOG E= 4.1); SADTLER REFERENCE NUMBER: 2722 (IR, PRISM); 736 (UV); SOL IN HOT ACETIC ACID; CHLOROFORM /DL-FORM/;MP:133-4 °C /D & L FORMS/;SWEET, BALSAMIC, PLEASANT ODOR; AROMATIC, ACRID, BITTERSWEET TASTE /SIAM OR SUMATRA BENZOIN/;RESIN BECOMES PLASTIC WHEN CHEWED;GRAYISH-RED MASS INTERMIXED WITH YELLOW PIECES SOMEWHAT RESEMBLING ALMONDS /SUMATRA BENZOIN/;BRITTLE @ ROOM TEMP, BUT SOFTENED BY HEAT

Rotatable Bond Count

RTECS Number

DI1590000

Vapor Pressure

5.27e-06 mmHg;1 MM HG @ 135.6 °C;Vapor pressure, Pa at 136 °C: 133

XLogP3

2.1

MSDS

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COA

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Spec Sheet