基本情報
- CAS
91-99-6- 標準SMILES
Cc1cccc(N(CCO)CCO)c1- InChIKey
VMNDRLYLEVCGAG-UHFFFAOYSA-N- 分子式
- C11H17NO2
- 平均分子量
- 195.26 g/mol
- 単同位体質量
- 195.12592879
名称と識別子
- 優先名称
- 2,2'-((3-Methylphenyl)imino)bisethanol
- IUPAC
- 2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
- 現地名
- m-トリルジエタノールアミン
- 英語名
- m-Tolyldiethanolamine
- 分子式
- C11H17NO2
- 分子量
- 195.26
名称と別名
名称をさらに表示
データベース識別子
- CAS
91-99-6- PubChem CID
- 7073
- DTXSID
DTXSID5059036- UNII
- SA9I4143NS
- EC Number
- 202-114-8
- Nikkaji
- J53.968F
物性
構造計算による物性
- XLogP
- 1.4
- 極性表面積
- 43.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 5
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 146
実験および物理化学的性質
物理化学的性質
- 融点
- 70 °C · 70°C
- 沸点
- 331.93 °C · 331.93°C (rough estimate)
- 比重(密度)
- 1.0654 · 1.0654 (rough estimate)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.533 · 1.5330 (estimate)
- 闪点
- 193 ° · 193°
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 酸解離定数(Pka)
- 14.3 · 14.30±0.10(Predicted)
- 外見
- powder to crystal
- 色
- White to Light yellow to Light orange
- 水溶解度
- 9.33 g/L · 9.33g/L at 20℃
- InChIKey
- VMNDRLYLEVCGAG-UHFFFAOYSA-N
- LogP
- 1.9 at · 1.9 at 20℃
- CAS データベース
- 91 · 91-99-6(CAS DataBase Reference)
- NISTの化学物質情報
- N-(m-tolyl)-diethanolamine(91-99-6)
- EPAの化学物質情報
- 2 · Ethanol, 2,2'-[(3-methylphenyl)imino]bis- (91-99-6)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 11% (31 of 281) of reports.
Danger
H301 (31.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (56.2%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (31.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (56.9%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (56.2%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (56.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (32%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H373 (56.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 281 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 31 of 281 reports by companies.;There are 9 notifications provided by 250 of 281 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Ethanol, 2,2'-[(3-methylphenyl)imino]bis-
Ethanol, 2,2'-[(3-methylphenyl)imino]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-[(3-methylphenyl)imino]bis- 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)
Status: Active Update: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27168
Ethanol, 2,2'-[(3-methylphenyl)imino]bis-: 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.
法規制情報
Regulatory Information
Chemical: Ethanol, 2,2'-[(3-methylphenyl)imino]bis-
Ethanol, 2,2'-[(3-methylphenyl)imino]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-[(3-methylphenyl)imino]bis- 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)
Status: Active Update: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27168
Ethanol, 2,2'-[(3-methylphenyl)imino]bis-: 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.
安全データ
- tsca
- TSCA listed
- rtecs
- KM3360000
- hs_code
- 2922190090
- risk_code
- 36/37/38
- 化審法
- (3)-233
- safety_code
- 26-36
化学と産業
用途と製造
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing;Plastics Material and Resin Manufacturing
Ethanol, 2,2'-[(3-methylphenyl)imino]bis-: ACTIVE
上流・下流製品情報
下流製品
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