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2,2'-((4-Methylphenyl)imino)-bisethanol

N,N-Bis(2-hydroxyethyl)-p-toluidine

HCID 76497
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TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
3077-12-1
Standard-SMILES
Cc1ccc(N(CCO)CCO)cc1
InChIKey
JUVSRZCUMWZBFK-UHFFFAOYSA-N
Summenformel
C11H17NO2
Durchschnittliche Molmasse
195,26 g/mol
Monoisotopische Masse
195,12592879

Namen und Bezeichner

Bevorzugter Name
N,N-Bis(2-hydroxyethyl)-p-toluidine
IUPAC
2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol
Lokaler Name
2,2'-((4-Methylphenyl)imino)-bisethanol
Englischer Name
2,2'-(P-TOLYLIMINO)DIETHANOL
Summenformel
C11H17NO2
Molmasse
195.26

Namen und Synonyme

3077-12-1N,N-Bis(2-hydroxyethyl)-p-toluidineN,N-Bis(2-hydroxyethyl)-4-toluidineEthanol, 2,2'-[(4-methylphenyl)imino]bis-R00STP10PRNSC-103354N,N-Dihydroxyethyl-p-toluidineEthanol, 2,2'-((4-methylphenyl)imino)bis-DHEPT cpdRefChem:822141221-359-12,2'-(p-Tolylimino)diethanol
Weitere Namen anzeigen
DHETN,N-DIHYDROXYETHYL-P-TOLUIDINE(DHPT)2,2'-(P-TOLYLIMINO)D-(P-TOLYLIMINO)DIETHANOLN-(P-TOLYL)DIETHANOLAMINEN,N-dioxyethyl-p-toluidine
2,2'-(p-Tolylazanediyl)diethanolp-TolyldiethanolamineDiethylol-p-toluidineN,N-Diethanol-p-toluidine2,2'-[(4-methylphenyl)imino]diethanolN-(4-Methylphenyl)diethanolamine2,2'-(4-Methylphenylimino)diethanolN,N-Di(2-hydroxyethyl)-para-toluidine

Datenbank-Bezeichner

CAS
3077-12-1
PubChem CID

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
43,7 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
5
Schwere Atome
14
Formalladung
0
Komplexität
138

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.00000073 [mmHg]
Physical DescriptionWhite powder with a slight odor; [3M MSDS]
Collision Cross Section · 1 Eintrag

141.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0044650];151.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044650];143.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044650]

Physikochemische Eigenschaften

Schmelzpunkt
49 · 49-53 °C (lit.)
Siedepunkt
338 · 338-340 °C (lit.)
Dichte
1.0654 · 1.0654 (rough estimate)
Dampfdruck
0 Pa · 0Pa at 25℃
Brechungsindex
1.533 · 1.5330 (estimate)
Flammpunkt
230 °F · >230 °F
storage temp.
Inert atmosphere,Room Temperature

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 5.6% (21 of 372) of reports.

Danger

H302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (18.5%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (46%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (74.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (18%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (11.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (46.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 372 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 21 of 372 reports by companies.;There are 10 notifications provided by 351 of 372 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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Ethanol, 2,2'-[(4-methylphenyl)imino]bis-

Status: Active Update: 04-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27362

Ethanol, 2,2'-[(4-methylphenyl)imino]bis-: Does not have an individual approval but may be used under an appropriate group standard

Chemie und Industrie

Verwendung und Herstellung

UsesLysosome stabilizing agent. [ChemIDplus] Used as an accelerator and intermediate; [3M MSDS]
General Manufacturing InformationEthanol, 2,2'-[(4-methylphenyl)imino]bis-: ACTIVE

Anwendungen

VerwendenEmulsifier, dyestuff intermediate.

Anbieter100 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]

Zugehörige Reaktionen

2
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 825951
HRID 825951als EduktTest data from https://doi.org/10.1039/C8SC04228D
Reaktionsgleichung von HRID 1984123
HRID 1984123als Eduktuspto-grants-2009_06

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Auf dieser SeiteGrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
76497
DTXSID
DTXSID0044650
ChEMBL
CHEMBL3189033
UNII
R00STP10PR
EC Number
221-359-1
Nikkaji
J150.382K
Löslichkeit
soluble in Methanol
Aggregatzustand
powder to lump to clear liquid
pka
14.33 · 14.33±0.10(Predicted)
Farbe
White or Colorles to Yellow to Orange
Wasserlöslichkeit
19.8 g/L · 19.8g/L at 20℃
BRN
2099156 · 2099156
Kosmetik-Inhaltsstoffe Funktionen
FILM FORMING
InChI
1S/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
InChIKey
JUVSRZCUMWZBFK-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)N(CCO)CCO
LogP
2 at · 2 at 35℃
CAS Datenbank
3077 · 3077-12-1(CAS DataBase Reference)
EPA chemische Informationen
2 · Ethanol, 2,2'-[(4-methylphenyl)imino]bis- (3077-12-1)
Hazards SummaryCauses flaccid paralysis without anesthesia (usually neuromuscular blockage), ataxia, and respiratory depression in oral lethal-dose studies of rodents; [RTECS] A moderate eye irritant; May induce methemoglobinemia; [3M MSDS] See Toluidine.
Hazard Classes and CategoriesAcute Tox. 4 (88.2%);Skin Irrit. 2 (18.5%);Skin Sens. 1B (46%);Eye Dam. 1 (74.7%);Eye Irrit. 2 (18%);STOT SE 3 (11.3%);Aquatic Chronic 3 (46.5%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin;Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Ethanol, 2,2'-[(4-methylphenyl)imino]bis-

Status: Active Update: 04-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27362

Ethanol, 2,2'-[(4-methylphenyl)imino]bis-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F
1-10
wgk
3
tsca
TSCA listed
hs_code
29221990
RTECS-Nr.
KL8062000
risk_code
36/37/38-52/53-41-37/38-22
hazard_code
Xi,Xn
safety_code
26-36-61-39
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Sens. 1
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