基本情報
- CAS
54914-85-1- 標準SMILES
Cc1cccc(OCCOc2cccc(C)c2)c1- InChIKey
OAGNKYSIOSDNIG-UHFFFAOYSA-N- 分子式
- C16H18O2
- 平均分子量
- 242.31 g/mol
- 単同位体質量
- 242.13067981
名称と識別子
- 優先名称
- 1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
- IUPAC
- 1-methyl-3-[2-(3-methylphenoxy)ethoxy]benzene
- 現地名
- 3,3'-(エチレンビスオキシ)ビストルエン
- 英語名
- 1,2-Bis(3-methylphenoxy)ethane
- 分子式
- C16H18O2
- 分子量
- 242.31
名称と別名
54914-85-11,2-Bis(3-methylphenoxy)ethane8CHG3RV79M1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[3-methyl-NSC-117525J93.684G1,1'-[ethane-1,2-diylbis(oxy)]bis(3-methylbenzene)Benzene, 1,1'-(1,2-ethanediylbis(oxy))bis(3-methyl-1,2-bis(3'-methylphenoxy)ethaneEC 402-730-9NSC 117525
名称をさらに表示
1,2-ビス(3-メチルフェノキシ)エタン3,3'-(エチレンビスオキシ)ビストルエンエチレングリコールジ(m-トリル)エーテル1,1'-[1,2-エタンジイルビス(オキシ)]ビス(3-メチルベンゼン)1,2-ビス(M-トリルオキシ)エタン3,3′-エチレンビスオキシビス(1-メチルベンゼン)1-メチル-3-[2-(3-メチルフェノキシ)エトキシ]ベンゼン3,3′-(エチレンビスオキシ)ビストルエン1-[(2R,3R,4R,5R)-4-ヒドロキシ-5-(ヒドロキシメチル)-3-(2-メトキシエトキシ)オキソラン-2-イル]-2-スルファニリデン-1,2,3,4-テトラヒドロピリミジン-4-オン1-[2-O-(2-メトキシエチル)-β-D-リボフラノシル]-2-チオキソ-1,2-ジヒドロピリミジン-4(3H)-オン2′-O-(2-メトキシエチル)-2-チオウリジンF-203(EGTE)Ethyleneglycol m-tolyl ether1,2-Bis(3-methylphenoxy)ethan3,3'-(Ethylenebisoxy)bistoluene1,2-Bis(3-Methylphenyloxy)ethane1,2-Bis(M-Tolyloxy)Ethane (EGTE)Ethylene Glycol Di(m-tolyl) Ether
ETHYLENE GLYCOL BIS(M-TOLYL ETHER)RefChem:409104402-730-9633-380-71,2-BIS(M-TOLYLOXY)ETHANE1-methyl-3-[2-(3-methylphenoxy)ethoxy]benzeneMFCD00025952DTXSID6044690
データベース識別子
- CAS
54914-85-1- PubChem CID
- 97354
- DTXSID
DTXSID6044690- ChEMBL
CHEMBL3187070- UNII
- 8CHG3RV79M
- EC Number
- 402-730-9、633-380-7
- Nikkaji
- J93.684G
物性
構造計算による物性
- XLogP
- 4.3
- 極性表面積
- 18.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 5
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 205
物理化学的性質
- 融点
- 96 to · 96.0 to 100.0 °C
- 沸点
- 381.8 · 381.8±30.0 °C(Predicted)
- 比重(密度)
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- 蒸気圧
- 0.001 · 0.001-0.004Pa at 25-45.5℃
- 溶解性
- Chloroform (Slightly), Methanol (Very Slightly)
- 外見
- Solid:particulate/powder
- 色
- White to Light yellow
- InChI
- InChI=1S/C16H18O2/c1-13-5-3-7-15(11-13)17-9-10-18-16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3
- InChIKey
- OAGNKYSIOSDNIG-UHFFFAOYSA-N
- SMILES
- C(OC1=CC=CC(C)=C1)COC1=CC=CC(C)=C1
- LogP
- 3.94 at · 3.94 at 21℃
- 表面張力
- 72.6 mN/m · 72.6mN/m at 400μg/L and 20℃
- EPAの化学物質情報
- 1 · Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[3-methyl- (54914-85-1)
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
Warning
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 1,2-bis(3-methylphenoxy)ethane (EC: 402-730-9)
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Aquatic Acute 1 (100%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
安全データ
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG III
- hs_code
- 2909.30.6000
- risk_code
- 50/53
- 化審法
- (3)-3886
- hazard_code
- N
- safety_code
- 60-61
- hazard_class
- 9
- packing_group
- III
化学と産業
用途と製造
General Manufacturing InformationBenzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[3-methyl-: ACTIVE
応用分野
使用1,2-Bis(m-tolyloxy)ethane can be used for its agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay
一般的な説明In a thermal recording medium including a basic chromogenic dye, a developer and a sensitizer, a composition for a thermal recording medium which composition contains 50 ppm to 5.0 mass % of 1-(3-methylphenoxy)-2-(4-methylphenoxy)ethane and/or 1,2-bis(4-methylphenoxy)ethane in 1,2-bis(3-methylphenoxy)ethane is used as a said sensitizer, whereby the 1,2-bis(3-methylphenoxy)ethane compound is remarkably improved in milling property in the preparation of the above sensitizer, and a thermal recording medium is provided without impairing the colourability, etc., such as thermal colorability. Generally, as raw materials, 1,2-bis(3-methylphenoxy)ethane is synthesized from 3-methylphenol and 1,2-dihalogenoethane or the like and then purified by recrystallization.
上流・下流製品情報
下流製品
サプライヤー100 社
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
関連反応
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化合物ノート
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