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1,2,3,5-Tetramethylbenzene

HCID 10695
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
527-53-7
標準SMILES
Cc1cc(C)c(C)c(C)c1
InChIKey
BFIMMTCNYPIMRN-UHFFFAOYSA-N
分子式
C10H14
平均分子量
134.22 g/mol
単同位体質量
134.10955045

概要

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.

名称と識別子

優先名称
1,2,3,5-Tetramethylbenzene
IUPAC
1,2,3,5-tetramethylbenzene
英語名
1,2,3,5-Tetramethylbenzene
分子式
C10H14
分子量
0

名称と別名

1,2,3,5-TETRAMETHYLBENZENE527-53-7IsodureneBenzene, 1,2,3,5-tetramethyl-1,3,4,5-TetramethylbenzeneDTXSID60261190JBI5Y5A5ZDTXCID706119NSC-8091RefChem:791853208-417-1UNII-0JBI5Y5A5Z
名称をさらに表示
NSC 8091MFCD000085241,2,3,5-tetramethyl-benzeneAKOS009031098EINECS 208-417-1CCRIS 8661Tetramethylbenzene, 1,2,3,5-ISODURENE [MI]

データベース識別子

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

物性

構造計算による物性

XLogP
4
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
0
重原子数
10
形式電荷
0
複雑度
94.6

実験および物理化学的性質

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

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 件

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]
Physical Description · 3 件

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.

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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 件

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)

化学と産業

用途と製造

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 件

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

サプライヤー58 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
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]
上海迈瑞尔生化科技有限公司

関連反応

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化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

Liquid

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

Hazards Summary
A skin, eye, and respiratory tract irritant; [CAMEO]
Reactive GroupHydrocarbons, Aromatic
Reactivity Profile · 1 件

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)

安全と保護具

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 件

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)

毒性情報

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

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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