基本情報
- 標準SMILES
Cc1cc(C)c(C)cc1C- InChIKey
SQNZJJAZBFDUTD-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
1,2,4,5-tetramethylbenzene appears as colorless crystals with a camphor-like odor. (NTP, 1992)
名称と識別子
- 優先名称
- Durene
- IUPAC
- 1,2,4,5-tetramethylbenzene
- 現地名
- 1,2,4,5-テトラメチルベンゼン
- 英語名
- 1,2,4,5-Tetramethylbenzene
- 分子式
- C10H14
- 分子量
- 134.22
名称と別名
名称をさらに表示
データベース識別子
- CAS
95-93-2- PubChem CID
- 7269
- DTXSID
DTXSID1029124- ChEMBL
CHEMBL1797134- ChEBI
CHEBI:38978- UNII
- 181426CFYB
- EC Number
- 202-465-7
- Nikkaji
- J4.714G
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
- 80.6
実験および物理化学的性質
Density
0.8875 at 68 °F (NTP, 1992) - Less dense than water; will float
0.838 @ 81°C
Flash Point
130 °F (NFPA, 2010)
74 °C
Boiling Point
386.2 °F at 760 mmHg (NTP, 1992)
196 °C @760 [mm Hg]
Physical Description
1,2,4,5-tetramethylbenzene appears as colorless crystals with a camphor-like odor. (NTP, 1992)
Colorless solid; [CAMEO]
物理化学的性質
- 融点
- 78 °C · 78 °C
- 沸点
- 196 · 196-197 °C
- 比重(密度)
- 0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
- 蒸気密度
- 4.6 · 4.6 (vs air)
- 蒸気圧
- 160 mm · 160 mm Hg ( 140 °C)
- 屈折率
- 1.5093 · 1.5093
- 闪点
- 165 °F · 165 °F
- 貯蔵温度
- Flammables area
- 溶解性
- 0.00348 g/l · 0.00348g/l
- 外見
- crystals
- 色
- White to Almost white
- 比重
- 0.838 · 0.838
- 臭い (Odor)
- 悪臭を放つ甘い
- 水溶解度
- 不溶性
- 比熱容量
- 1.6 J/ · Cp(crystal): 1.6 J/(g·K), at 25℃
- Merck
- 14 · 14,3468
- BRN
- 1903393 · 1903393
- Henry's Law Constant
- 2.49 at · 2.49 at 25 °C (approximate - calculated from water solubility and vapor pressure)
- InChI
- 1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
- InChIKey
- SQNZJJAZBFDUTD-UHFFFAOYSA-N
- SMILES
- Cc1cc(C)c(C)cc1C
- LogP
- 4 · 4.000
- CAS データベース
- 95 · 95-93-2(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · Benzene, 1,2,4,5-tetramethyl-(95-93-2)
- EPAの化学物質情報
- 1 · 1,2,4,5-Tetramethylbenzene (95-93-2)
化学的性質
化学的特性white to brown semi-transparent crystals
安全と法規制
GHS分類
GHS Classification
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.
危険有害性情報
Regulatory Information
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
Reactivity Profile
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.
安全と保護具
First Aid
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
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.
Protective Action Criteria (PAC)
21 [mg/m3]
230 [mg/m3]
1400 [mg/m3]
Personal Protective Equipment (PPE)
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.
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- DC0500000
- ridadr
- UN 1325 4.1/PG 2
- 毒性
- LD50 orally in Rabbit: 6700 mg/kg
- hs_code
- 29029080
- risk_code
- 11-53-50
- 化審法
- (3)-7
- hazard_code
- F,N
- safety_code
- 16-61
- hazard_class
- 4.1
- packing_group
- III
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Flam. Sol. 1
- ストレージクラス
- 4.1B - Flammable solid hazardous materials
化学と産業
用途と製造
応用分野
解説1,2,4,5-tetramethylbenzene.C10H14(134.22).ジュレン,石炭タール中,または石油改質油中に少量含まれるが,キシレンやプソイドクメンをフリーデル-クラフツ反応によってメチル化して合成できる.ショウノウ臭のある白色の結晶.融点 80℃,沸点 191~193℃の昇華性固体。d8140.84.λmax 214,269,272,287 nm(log ε 3.99,2.79,2.75,2.82).昇華性がある.エタノール,エーテルなどに可溶.酸化すれば条件によって種々の生成物が得られる.クロム酸または硝酸酸化では2,4,5-トリメチル安息香酸が,気相接触酸化ではピロメリト酸,またはその無水物が,過酸化物酸化ではテトラメチルベンゾキノンが生成する.森北出版「化学辞典(第2版)
使用1,2,4,5-Tetramethylbenzene is used in method for reducing odor in room in remodeling work by removing causative substances.
一般的な説明Colorless crystals with a camphor-like odor.
調製方法
純化方法Chromatograph durene on alumina, and recrystallise it from aqueous EtOH or *benzene. Zone-refining removes duroaldehydes. Dry it under vacuum. [Yamauchi et al. J Phys Chem 89 4804 1985.] It has also been sublimed in vacuo [Johnston et al. J Am Chem Soc 109 1291 1987]. [Beilstein 5 H 431, 5 I 207, 5 II 329, 5 III 979, 5 IV 1076.]
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