Caprolactam - Materials / Alfa Chemistry

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Caprolactam

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Catalog Number

ACMA00016872

Product Name

Caprolactam

Category

Polymers

Description

Caprolactam is a clear to milky white-colored solution with a mild, disagreeable odor. Contact may cause slight irritation to skin, eyes, and mucous membranes. May be mildly toxic by ingestion. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. As a liquid it can easily penetrate the soil and contaminate groundwater and nearby streams. Used to make other chemicals.;DryPowder; DryPowder, Liquid; Liquid; OtherSolid; OtherSolid, Liquid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid;WHITE HYGROSCOPIC CRYSTALS OR FLAKES.;Yellowish solid; Amine, spicy aroma;White crystalline solid; Cool minty aroma;Clear to milky white-colored solution with a mild, disagreeable odor.;White, crystalline solid or flakes with an unpleasant odor. [Note: Significant vapor concentrations would be expected only at elevated temperatures.]

IUPAC Name

azepan-2-one

Molecular Weight

113.16g/mol

Molecular Formula

C6H11NO;C6H11NO

Canonical SMILES

C1CCC(=O)NCC1

InChI

InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)

InChI Key

JBKVHLHDHHXQEQ-UHFFFAOYSA-N

Boiling Point

512.4 °F at 760 mm Hg (NTP, 1992);270.0 °C;270 °C;267 °C;515°F;515°F

Melting Point

156 °F (NTP, 1992);69.3 °C;69.3 °C;69.3 °C;70 °C;156°F;156°F

Flash Point

257 °F (NTP, 1992);125 °C o.c.;282°F;282°F

Density

1.02 at 170.6 °F (USCG, 1999);Specific gravity: 1.02 at 75 °C/4 °C (liq);Relative density (water = 1): 1.02;1.02;1.01

Solubility

greater than or equal to 100 mg/mL at 68.9° F (NTP, 1992);772 mg/mL at 10 °C;Soluble in chlorinated solvents, petroleum distillate, and cyclohexene.;Freely sol in methanol, ethanol,tetrahydrofurfuryl alc; ether, dimethylformamide, sol in chlorinated hydrocarbons, cyclohexene, petroleum fractions;Soluble in benzene, ethanol, and chloroform;In water, 5.25X10+6 mg/l @ 25 °C.;Solubility in water: good;Soluble in water;Soluble (in ethanol);Insoluble in water and fats; Soluble in diethyl ether, and hydrocarbons;Soluble (in ethanol);53%

Color/Form

Hygroscopic leaflets from petroleum ether;White, crystalline solid or flakes ... [Note: Significant vapor concentrations would be expected only at elevated temperatures].;White flakes or fused

Complexity

90.5

Covalently-Bonded Unit Count

EC Number

203-313-2;919-537-5

Exact Mass

113.084064g/mol

Formal Charge

Heat of Vaporization

116 cal/g

Heavy Atom Count

ICSC Number

0118

Log P

-0.19

MeSH Entry Terms

Aminocaproic Lactam;Caprolactam;Hexahydro 2H Azepin 2 One;Hexahydro-2H-Azepin-2-One;Lactam, Aminocaproic

Monoisotopic Mass

113.084064g/mol

NSC Number

117393;25536;4977

Odor

... Unpleasant odor ...

Other Experimental

HEAT OF FUSION: 29 CAL/G; HYGROSCOPIC;Density: 1.05 @ 25 °C/4 °C /70% aq soln/;HYDROLYSED BY STRONG MINERAL ACIDS, GIVING AMINO ACIDS;Index of refraction: 1.4965 @ 31 °C/D; 1.4935 @ 40 °C/D /70% aq soln/;Vapor pressure: 6 mm Hg @ 120 °C;BP: 180 °C @ 50 mm Hg

Rotatable Bond Count

RTECS Number

cm³675000

UNII

6879X594Z8

UN Number

3082

Vapor Density

3.91 (NTP, 1992) (Relative to Air);3.91 (air=1);Relative vapor density (air = 1): 3.91;3.91

Vapor Pressure

0.001 mm Hg at 68 °F ; 3 mm Hg at 212° F (NTP, 1992);0.00 mmHg;1.9X10-3 mm Hg at 25 °C;Vapor pressure, Pa at 25 °C: 0.26;0.001 mm Hg at 68°F;0.00000008 mmHg

Viscosity

9 cP @ 78 °C

XLogP3

-0.1

MSDS

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COA

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Spec Sheet

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