2-(tert-Butylamino)ethanol (HCID 78361)

名称と識別子

優先名称: 2-(tert-Butylamino)ethanol
IUPAC: 2-(tert-butylamino)ethanol
現地名: 2-(tert-ブチルアミノ)エタノール
英語名: 2-(tert-Butylamino)ethanol
分子式: C6H15NO
分子量: 117.19

名称と別名

2-(tert-Butylamino)ethanol4620-70-6tert-ButylaminoethanolEthanol, 2-[(1,1-dimethylethyl)amino]-DTXSID10444312-((1,1-Dimethylethyl)amino)ethanolEthanol, 2-((1,1-dimethylethyl)amino)-NSC-7843072174ZJW10DTXCID9024431RefChem:84885225-034-5

名称をさらに表示

2-(tert-ブチルアミノ)エタノールN-(2-ヒドロキシエチル)-tert-ブチルアミン2-tert-ブチルアミノエタノールＮｔｅｒｔブチルエタノルアミンN-tert-ブチルエタノールアミンN-T-ブチルエタノールアミンTBMEAAKOS BC-1247t-butylethanolamineTIMTEC-BB SBB007658tert-ButylethanolamineN-TERT-BUTYLETHANOLAMIN

N-tert-Butylethanolamine2-(Tert-Butylamino)Ethan-1-OlEthanol, 2-(tert-butylamino)-N-t-Butylethanolamine2-tert-butylaminoethanolMFCD00002837NSC 784302-(t-butylamino)ethanol

データベース識別子

CAS: 4620-70-6
PubChem CID: 78361
DTXSID: DTXSID1044431
ChEMBL: CHEMBL3188116
UNII: 72174ZJW10
EC Number: 225-034-5
Nikkaji: J150.081C

物性

構造計算による物性

XLogP: 0.4
極性表面積: 32.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 56

物理化学的性質

融点: 41 · 41-43 °C(lit.)
沸点: 90 · 90-92 °C25 mm Hg(lit.)
比重(密度): 0.867 g/mL · 0.867 g/mL at 25 °C(lit.)
蒸気密度: 4 · 4 (vs air)
屈折率: 1.4444 · 1.4444 (estimate)
闪点: 156 °F · 156 °F
貯蔵温度: 30 °C · Store below +30°C.
酸解離定数(Pka): 14.81 · 14.81±0.10(Predicted)
外見: low melting solid
InChI: InChI=1S/C6H15NO/c1-6(2,3)7-4-5-8/h7-8H,4-5H2,1-3H3
InChIKey: IUXYVKZUDNLISR-UHFFFAOYSA-N
SMILES: C(O)CNC(C)(C)C
CAS データベース: 4620 · 4620-70-6(CAS DataBase Reference)
EPAの化学物質情報: 2 · Ethanol, 2-[(1,1-dimethylethyl)amino]- (4620-70-6)

化学的性質

化学的特性white solid or crystalline needles

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H312 (90.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 · 2 件

Chemical: Ethanol, 2-[(1,1-dimethylethyl)amino]-

2-t-Butylamino-ethanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesAcute Tox. 4 (90.5%)；Skin Corr. 1B (100%)

法規制情報

Regulatory Information · 2 件

Chemical: Ethanol, 2-[(1,1-dimethylethyl)amino]-

2-t-Butylamino-ethanol: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 9
wgk: 3
tsca: TSCA listed
rtecs: KK7177500
ridadr: UN 2923 8/PG 2
毒性: LD50 orally in Rabbit: 1620 mg/kg LD50 dermal Rabbit 635 mg/kg
hs_code: 2922 19 00
risk_code: 21-34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
ストレージクラス: 6.1A - Combustible, acute toxic Cat. 1 and 2very toxic hazardous materials