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1,2,3,5-Tetramethylbenzene

HCID 10695
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Grundinformationen

CAS
527-53-7
Standard-SMILES
Cc1cc(C)c(C)c(C)c1
InChIKey
BFIMMTCNYPIMRN-UHFFFAOYSA-N
Summenformel
C10H14
Durchschnittliche Molmasse
134,22 g/mol
Monoisotopische Masse
134,10955045

Überblick

1,2,3,5-tetramethylbenzene appears as a pale yellow to white liquid with a camphor-like odor. Flash point 165 °F. Less dense than water and only negligibly soluble in water. Slightly irritates the skin and eyes. Slightly toxic by ingestion but may irritate the mouth, throat and gastrointestinal tract.

Namen und Bezeichner

Bevorzugter Name
1,2,3,5-Tetramethylbenzene
IUPAC
1,2,3,5-tetramethylbenzene
Englischer Name
1,2,3,5-Tetramethylbenzene
Summenformel
C10H14
Molmasse
0

Namen und Synonyme

1,2,3,5-TETRAMETHYLBENZENE527-53-7IsodureneBenzene, 1,2,3,5-tetramethyl-1,3,4,5-TetramethylbenzeneDTXSID60261190JBI5Y5A5ZDTXCID706119NSC-8091RefChem:791853208-417-1UNII-0JBI5Y5A5Z
Weitere Namen anzeigen
NSC 8091MFCD000085241,2,3,5-tetramethyl-benzeneAKOS009031098EINECS 208-417-1CCRIS 8661Tetramethylbenzene, 1,2,3,5-ISODURENE [MI]

Datenbank-Bezeichner

CAS
527-53-7
PubChem CID
10695
DTXSID
DTXSID6026119
ChEMBL
CHEMBL1797133
UNII
0JBI5Y5A5Z
EC Number
208-417-1
Nikkaji
J6.670B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
0
Schwere Atome
10
Formalladung
0
Komplexität
94,6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesVolatile Organic Compound (VOC)
SolventsSolvents -> Aromatic Solvents
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.17
Density · 2 Einträge

0.891 at 68 °F (USCG, 1999) - Less dense than water; will float

0.896 @25 °C

Flash Point146 °F (USCG, 1999)
Boiling Point · 2 Einträge

388.4 °F at 760 mmHg (USCG, 1999)

197 °C @760 [mm Hg]

Melting Point-10.6 °F (USCG, 1999)
Vapor Density4.63 (USCG, 1999) - Heavier than air; will sink (Relative to Air)
Vapor Pressure0.49 [mmHg]

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.5% (3 of 121) of reports.

Warning

H315 (23.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 121 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Benzene, 1,2,3,5-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,2,3,5-tetramethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Benzene, 1,2,3,5-tetramethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT LabelCombustible Liquid
Fire HazardsCombustible. (USCG, 1999)
Health Hazards · 1 Eintrag

CALL FOR MEDICAL AID. LIQUID: Irritating to skin, eyes, and respiratory tract. Remove contaminated clothing and shoes. Flush affected areas with plenty of water. IF IN EYES, hold eyelids open and flush with plenty of water. VAPORS: Irritating to skin, eyes and respiratory tract. Move to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen. IF IN EYES, hold eyelids open and flush with plenty of water. Harmful if inhaled or swallowed. Vapor or mist is irritating to the eyes, mucous membranes, and upper respiratory tract. Prolonged contact can cause dermititis, and prolonged exposure can cause nausea, dizziness and headache. (USCG, 1999)

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb
Industry UsesOther
Household ProductsInformation on 2 consumer products that contain Isodurene in the following categories is provided:
General Manufacturing Information · 2 Einträge

Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing)

Benzene, 1,2,3,5-tetramethyl-: ACTIVE

Anbieter58 Anbieter

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Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

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Physical Description · 3 Einträge

1,2,3,5-tetramethylbenzene appears as a pale yellow to white liquid with a camphor-like odor. Flash point 165 °F. Less dense than water and only negligibly soluble in water. Slightly irritates the skin and eyes. Slightly toxic by ingestion but may irritate the mouth, throat and gastrointestinal tract.

Liquid

Pale yellow to white liquid with a camphor-like odor; [CAMEO]

Hazards SummaryA skin, eye, and respiratory tract irritant; [CAMEO]
Reactive GroupHydrocarbons, Aromatic
Reactivity Profile · 1 Eintrag

Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as 1,2,3,5-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.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (23.1%)
Lower Explosive Limit (LEL)Data not available. (USCG, 1999)
Upper Explosive Limit (UEL)Data not available. (USCG, 1999)

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidINHALATION: Call for medical aid. Remove the victim to fresh air. If breathing has stopped give artificial respiration. If breathing is difficult, give oxygen.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Protective Action Criteria (PAC) · 3 Einträge

15 [mg/m3]

170 [mg/m3]

1000 [mg/m3]

Personal Protective Equipment (PPE)Wear self contained breathing apparatus, rubber boots and heavy rubber gloves. (USCG, 1999)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
USGS Health-Based Screening Levels for Evaluating Water-Quality · 3 Einträge

1,2,3,5-Tetramethylbenzene

Volatile Organic Compound (VOC)

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

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