Durene

HCID 7269CAS 95-93-2

Basic information

Standard SMILES
Cc1cc(C)c(C)cc1C
InChIKey
SQNZJJAZBFDUTD-UHFFFAOYSA-N
Molecular formula
C10H14
Average molar mass
134.22 g/mol
Monoisotopic mass
134.10955045

Overview

1,2,4,5-tetramethylbenzene appears as colorless crystals with a camphor-like odor. (NTP, 1992)

Names & identifiers

Preferred name
Durene
IUPAC
1,2,4,5-tetramethylbenzene
English name
1,2,4,5-Tetramethylbenzene
Molecular formula
C10H14
Molecular weight
134.22

Names & synonyms

1,2,4,5-TETRAMETHYLBENZENEDurene95-93-2DurolBenzene, 1,2,4,5-tetramethyl-p-Xylene, 2,5-dimethyl-DTXSID1029124181426CFYBNSC-6770DTXCID309124CHEBI:38978RefChem:590468
Show more names
1,2,4,5-TETRAMETHYLBENZENE (DURENE)1,2,4,5-TetramethyL1,2,4,5-TERAMETHYLBENZENEbenzene,1,2,4,5-tetramethyl-Durol[R]1.2.4.5-TetraMThymol Impurity?401,2,4,5-Tetramethylb
202-465-7MFCD000085281,2,4,5-tetramethyl-benzeneCAS-95-93-2NSC 6770EINECS 202-465-7DurenUNII-181426CFYB

Database identifiers

CAS
95-93-2
PubChem CID
7269
DTXSID
DTXSID1029124
ChEMBL
CHEMBL1797134
ChEBI
CHEBI:38978
UNII
181426CFYB
EC Number
202-465-7
Nikkaji
J4.714G

Properties

Computed structural properties

XLogP
4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
10

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density · 2 items

0.8875 at 68 °F (NTP, 1992) - Less dense than water; will float

0.838 @ 81°C

Flash Point · 2 items

130 °F (NFPA, 2010)

74 °C

Boiling Point · 2 items

386.2 °F at 760 mmHg (NTP, 1992)

196 °C @760 [mm Hg]

Melting Point174.6 °F (NTP, 1992)

Physicochemical properties

Melting point
78 °C · 78 °C
Boiling point
196 · 196-197 °C
Density
0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
vapor density
4.6 · 4.6 (vs air)
vapor pressure
160 mm · 160 mm Hg ( 140 °C)
refractive index
1.5093 · 1.5093

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 8.1% (24 of 298) of reports.

Danger

H228 (89.6%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P273, P280, P370+P378, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 298 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzene, 1,2,4,5-tetramethyl-

Benzene, 1,2,4,5-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelFlammable Solid
Fire HazardsExcerpt from ERG Guide 133 [Flammable Solids]:
Health HazardsExcerpt from ERG Guide 133 [Flammable Solids]:
Reactive GroupHydrocarbons, Aromatic
Reactivity Profile · 1 item

Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as 1,2,4,5-TETRAMETHYLBENZENE, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction.

Safety & protection

Fire FightingTo extinguish a fire involving this chemical you may use a dry chemical, carbon dioxide, foam or halon extinguisher; a water spray may also be used. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 133 [Flammable Solids]:
Protective Action Criteria (PAC) · 3 items

21 [mg/m3]

230 [mg/m3]

1400 [mg/m3]

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.

Safety data

PPE
Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
1
tsca
TSCA listed
rtecs
DC0500000
ridadr
UN 1325 4.1/PG 2
hs_code
29029080

Chemistry & industry

Uses & manufacturing

UsesOccurs in coal tar; [Merck Index]
General Manufacturing InformationBenzene, 1,2,4,5-tetramethyl-: ACTIVE
Applications · 3 items

UsesPlasticizers; polymers; fibers; organic synthesis.

Uses1,2,4,5-Tetramethylbenzene is used in method for reducing odor in room in remodeling work by removing causative substances.

General DescriptionColorless crystals with a camphor-like odor.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Additional notes

DefinitionChEBI: Durene is a tetramethylbenzene carrying methyl groups at positions 1, 2, 4 and 5.

Related reactions

16 records

Linked notes

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