Grundinformationen
- Standard-SMILES
CC(N)(CO)CO- InChIKey
UXFQFBNBSPQBJW-UHFFFAOYSA-N- Summenformel
- C4H11NO2
- Durchschnittliche Molmasse
- 105,14 g/mol
- Monoisotopische Masse
- 105,07897859
Überblick
2-amino-2-methylpropane-1,3-diol is an aminodiol that is propane-1,3-diol substituted ny an amino and a methyl group at position 2.
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-2-methyl-1,3-propanediol
- IUPAC
- 2-amino-2-methylpropane-1,3-diol
- Englischer Name
- 2-Amino-2-methyl-1,3-propanediol
- Summenformel
- C4H11NO2
- Molmasse
- 105.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
115-69-5- PubChem CID
- 1531
- DTXSID
DTXSID7059430- ChEBI
CHEBI:991- UNII
- CZ7BU4QZJZ
- EC Number
- 204-100-7
- Nikkaji
- J35.183K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,8
- Polarare Oberfläche (TPSA)
- 66,5 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 51,7
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (Aminomethyl Propanediol) -> CIR (Cosmetic Ingredient Review)
Cosmetic ingredients (Aminomethylpropanediol) -> CIR (Cosmetic Ingredient Review)
Buffering
Physical Description
Large Crystals; Liquid
Solid; [Merck Index] Colorless crystalline solid; [Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 100 · 100-110 °C (lit.)
- Siedepunkt
- 151 °C/10 · 151 °C/10 mmHg (lit.)
- Dichte
- 1.0509 · 1.0509 (estimate)
- Dampfdichte
- 3.63 · 3.63 (vs air)
- Dampfdruck
- 10 mm · ~10 mm Hg ( 152 °C)
- Brechungsindex
- 1.4754 · 1.4754 (estimate)
- Flammpunkt
- 100 °C · >100°C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2 O: · H2O: 1 M at 20 °C, clear, colorless
- Aggregatzustand
- Crystalline Powder
- Farbe
- White
- PH
- 10 · 10.0-12.0 (20℃, 0.5M in H2O)
- pka
- 8.8 · 8.8(at 25℃)
- Wasserlöslichkeit
- 2500 g/L · 2500 g/L (20 ºC)
- Merck
- 13 · 13,447
- BRN
- 635708 · 635708
- Stabilität
- Stable. Combustible. May be moisture-sensitive. Incompatible with strong oxidizing agents, copper, aluminium, brass, strong acids.
- Major Application
- diagnostic assay manufacturing
- Kosmetik-Inhaltsstoffe Funktionen
- BUFFERING
- InChI
- 1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
- InChIKey
- UXFQFBNBSPQBJW-UHFFFAOYSA-N
- SMILES
- CC(N)(CO)CO
- LogP
- -1.31 at · -1.31 at 22℃
- CAS Datenbank
- 115 · 115-69-5(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Amino-2-methyl-1,3-propanediol(115-69-5)
- EPA chemische Informationen
- 1 · 1,3-Propanediol, 2-amino-2-methyl- (115-69-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315 (89%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 228 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1,3-Propanediol, 2-amino-2-methyl-
1,3-Propanediol, 2-amino-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-amino-2-methyl- 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: 28-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22214
2-Amino-2-methyl-1,3-propanediol: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
Toxicity Summary
Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Sicherheitsdaten
- F
- 3-23
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3259 8/PG 2
- hs_code
- 29221980
- RTECS-Nr.
- TY2975000
- risk_code
- 36/37/38-20/21/22
- Toxizität
- LD50 orally in Rabbit: 17000 mg/kg
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Uses
CIR ingredient: Aminomethyl Propanediol
CIR ingredient: Aminomethylpropanediol
Used to make surfactants, vulcanization accelerators, and pharmaceuticals; Also used as a biological buffer, absorbent for acidic gases, and emulsifying agent (cosmetics, mineral oil, leather dressings, textile specialties, and cleaning compounds; Also used in hair sprays and wave sets; [Merck Index]
Leather Tanning and Processing [Category: Industry]
General Manufacturing Information
Paint and Coating Manufacturing
1,3-Propanediol, 2-amino-2-methyl-: ACTIVE
Anwendungen
VerwendenA useful biological buffer2-Amino-2-methyl-1,3-propanediol is used to make surfactants, vulcanization accelerators and as a biological buffer. It acts as an absorbent for acidic gases and emulsifying agent for cosmetics, mineral oil, leather dressings, textile specialties and cleaning compounds. It is also used in hair sprays. It acts as a buffer for the determination of alkaline phosphatase activity and spacer in isotachophoresis of proteins. It serves as a reaction buffer for enzymes with an activity in the basic pH range such as alkaline phosphatase. Further, it is used in the preparation of 4-hydroxymethyl-4-methyl-oxazolidin-2-one.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: An aminodiol that is propane-1,3-diol substituted ny an amino and a methyl group at position 2.
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