1,2,3-Trimethylbenzene - Materials / Alfa Chemistry

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1,2,3-Trimethylbenzene

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Catalog Number

ACMA00017266

Product Name

1,2,3-Trimethylbenzene

Category

Polymers

Description

COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;Clear, colorless liquid with a distinctive, aromatic odor.;Clear, colorless liquid with a distinctive, aromatic odor.

IUPAC Name

1,2,3-trimethylbenzene

Molecular Weight

120.19g/mol

Molecular Formula

C9H12;C9H12;C9H12

Canonical SMILES

CC1=C(C(=CC=C1)C)C

InChI

InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3

InChI Key

FYGHSUNMUKGBRK-UHFFFAOYSA-N

Boiling Point

176.1 °C;176.12 °C;176 °C;165-176 °C;329-349°F;349°F

Melting Point

-25.4 °C;-25.4 °C;-25 °C;-25 - 45 °C;-77 - (-)14°F;-14°F

Flash Point

44 to 53 °C (closed cup);111 °F (44 °C) (Closed cup);44 °C;44-53 °C c.c.;112-122°F

Density

0.8944 g/cu cm at 20 °C;0.89 g/cm³;Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.01;Relative density (water = 1): 0.86-0.89;0.86-0.89;0.89

Solubility

6.26e-04 M;Miscible with ethanol, ether, acetone, benzene, petroleum ether, carbon tetrachloride;In water, 75.2 mg/L at 25 °C;Solubility in water, g/100ml: 0.005;Solubility in water: very poor;Low

Color/Form

Colorless liquid;Clear, colorless liquid

Complexity

Covalently-Bonded Unit Count

EC Number

247-099-9;208-394-8

Exact Mass

120.0939g/mol

Formal Charge

Heat of Vaporization

49.05 kJ/mol at 20 °C

Heavy Atom Count

ICSC Number

1362;1389

Log P

3.66 (LogP);log Kow = 3.66;3.7;3.4/3.8

MeSH Entry Terms

hemimellitene

Monoisotopic Mass

120.0939g/mol

NSC Number

65599;5167

Odor

Distinctive, aromatic odor

Other Experimental

Conversion factors: 1 mg/cu m = 0.20 ppm; 1 ppm = 5.00 mg/cu m;Heat of formation: -58.5 kJ/mol at 298.15 K (liquid); -9.5 kJ/mol at 298.15 K (gas);Standard molar entropy: 267.9 J/mol K at 298.15 K;Molar heat capacity: 216.4 J/mol K at 298.15 K and constant pressure;Henry's Law constant = 4.36X10-3 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 3.27X10-11 cu cm/molec-sec at 25 °C

Refractive Index

Index of refraction: 1.5139 at 20 °C/D

Rotatable Bond Count

RTECS Number

DC3220000;DC3300000

UNII

ZK4R7UPH6R

UN Number

1993;1993;2325

Vapor Density

4.15 (Air = 1);Relative vapor density (air = 1): 4.1;Relative vapor density (air = 1): 4.1

Vapor Pressure