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2,2',2''-(Hexahydro-1,3,5-triazin-1,3,5-triyl)triethanol

Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine

HCID 104556
NotizenReaktionen
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
4719-04-4
Standard-SMILES
OCCN1CN(CCO)CN(CCO)C1
InChIKey
HUHGPYXAVBJSJV-UHFFFAOYSA-N
Summenformel
C9H21N3O3
Durchschnittliche Molmasse
219,28 g/mol
Monoisotopische Masse
219,15829154

Überblick

Hexahydro-1,3,5-tris(hydroxyethyl)-5-triazine is a viscous yellow liquid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine
IUPAC
2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol
Lokaler Name
2,2',2''-(Hexahydro-1,3,5-triazin-1,3,5-triyl)triethanol
Englischer Name
Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine
Summenformel
C9H21N3O3
Molmasse
219.28

Namen und Synonyme

4719-04-4TriazinetriethanolActaneGrotan BKGrotan BKalpur TEOnyxide 200Nipacide BKGrotan HDRoksol T 1-71,3,5-Triazine-1,3,5(2H,4H,6H)-triethanolBusan 1060
Weitere Namen anzeigen
HexahydrotriazineHexahydro-1TRIS(N-HYDROXYETHYL) HEXAHYDROTRIAZINE1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazineBK-8eta75
BactracleanHexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazineRancidity control agentProtectol HTActicide GRSurcide DSurcide PCobate C

Datenbank-Bezeichner

CAS
4719-04-4
PubChem CID
104556
DTXSID
DTXSID7025394
ChEMBL
CHEMBL3561636
UNII
OU2JEB22IE
EC Number
225-208-0
Nikkaji

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1,6
Polarare Oberfläche (TPSA)
70,4 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
6
Schwere Atome
15
Formalladung
0
Komplexität
130

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Uses -> Biocides/Disinfectants
SolubilitySoluble (>=10 mg/ml at 75 °F) (NTP, 1992)
Flash Point · 2 Einträge

greater than 200 °F (NTP, 1992)

Flash point > 200 °F

Physical Description · 2 Einträge

Hexahydro-1,3,5-tris(hydroxyethyl)-5-triazine is a viscous yellow liquid. (NTP, 1992)

Viscous yellow liquid; [CAMEO] Formulated as liquid concentrates; [Reference #2]

Physikochemische Eigenschaften

Siedepunkt
360.1 °C · 360.1°C (rough estimate)
Dichte
1.1269 · 1.1269 (rough estimate)
Dampfdruck
0 Pa · 0Pa at 25℃
Brechungsindex
1.483 · 1.4830 (estimate)
storage temp.
2 · 2-8°C
Löslichkeit
Ethyl Acetate (Slightly, Sonicated), Water (Slightly)

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

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.1% (2 of 1471) of reports.

Danger

H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol

REACH registered substance: 2,2',2''-(hexahydro-1,3,5-triazine-1,3,5-triyl)triethanol (EC: 225-208-0)

1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol: Human health tier II assessment
DOT LabelPoison
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards Summary · 1 Eintrag

Allergic contact dermatitis and asthma reported in exposed workers; [Kanerva, p. 1800] Hydrolyzed forming formaldehyde, which is responsible for the antimicrobial activity of the compound; Reports of occupational skin irritation and sensitization, conjunctivitis, and bronchial asthma; 1% of 1,772 patients with suspected ACD had positive sensitization reaction to a 1% concentration; [Reference #2] Danger of skin sensitization; [MAK] See Formaldehyde.

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used as a formaldehyde-releasing biocide in metalworking fluids; [Kanerva, p. 1800] An antimicrobial (possesses some fungicidal activity) used to preserve adhesives, metalworking fluids, indoor construction materials, lubricants, aqueous mineral slurries, paints, stains, coatings, fuel and oil in storage, oil field drilling muds, inks and dyes, chemical and clinical reagents, industrial water systems, and household and industrial cleansers and detergents; [Reference #2]

Metal Machining [Category: Heat or Machine]

Household ProductsInformation on 45 consumer products that contain Triazinetriethanol in the following categories is provided:
General Manufacturing Information1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol: ACTIVE
Anwendungen · 2 Einträge

BeschreibungGrotan BK is a triazine derivative contained in cutting fluids. It is a formaldehyde releaser. Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine is a light-yellow liquid. It is a formaldehyde condensate product that is used as an antimicrobial agent in metal working fluids.

VerwendenHexahydro-l,3,5-tris-(2-hydroxyethyl)triazin is used in organic synthesis; as a bactericide in cooling fluids and various cosmetic products; formaldehyde liberator.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

deodorant1,3-Oxazolidine1,3,5-Trioxan2-Aminoethanol2-(1,3,5-Dithiazinan-5-yl)ethanol

Zugehörige Reaktionen

3
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 364674
HRID 364674als Eduktuspto-grants-1986_08
Reaktionsgleichung von HRID 1762066
HRID 1762066als Eduktuspto-grants-1989_05
Reaktionsgleichung von HRID 1762067
HRID 1762067als Eduktuspto-grants-1989_05

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
J2.219E
Aggregatzustand
Oil to Low-Melting Solid
pka
14.16 · 14.16±0.10(Predicted)
Farbe
Off-White to Yellow
Wasserlöslichkeit
Soluble (>=1 g/100 mL at 24 ºC)
Kosmetik-Inhaltsstoffe Funktionen
SKIN CONDITIONINGSKIN PROTECTING
InChI
InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2
InChIKey
HUHGPYXAVBJSJV-UHFFFAOYSA-N
SMILES
N1(CCO)CN(CCO)CN(CCO)C1
LogP
-2 at · -2 at 24℃
CAS Datenbank
4719 · 4719-04-4(CAS DataBase Reference)
EPA chemische Informationen
-1 · Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine (4719-04-4)
Reactive GroupAlcohols and Polyols
Reactivity Profile · 1 Eintrag

HEXAHYDRO-1,3,5-TRIS(HYDROXYETHYL)-5-TRIAZINE is an amine and an alcohol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsWater soluble.
Hazard Classes and Categories · 5 Einträge

Acute Tox. 4 (99.9%)

Skin sensitisation - category 1

Acute toxicity (Oral) - Category 4

Acute toxicity (Oral) - Category 4

Acute Tox. 4 *

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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 · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Protective Action Criteria (PAC) · 3 Einträge

2.3 [mg/m3]

25 [mg/m3]

150 [mg/m3]

Personal Protective Equipment (PPE) · 1 Eintrag

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. (NTP, 1992)

Toxikologische Informationen

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

Sicherheitsdaten

tsca
TSCA listed
ridadr
2810
risk_code
22-43
Toxizität
LD50 oral in rat: 763mg/kg
hazard_code
Xn
safety_code
24-37
hazard_class
6.1(b)
packing_group
III
Formaldehyd

Nachgelagerte Produkte

finishing agent for polyester fiber

Anbieter100 Anbieter

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Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
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佛山市丽源化工有限公司13889923167 13690318880 · [email protected]
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