Grundinformationen
- CAS
1188-37-0- Standard-SMILES
CC(=O)N[C@@H](CCC(=O)O)C(=O)O- InChIKey
RFMMMVDNIPUKGG-YFKPBYRVSA-N- Summenformel
- C7H11NO5
- Durchschnittliche Molmasse
- 189,17 g/mol
- Monoisotopische Masse
- 189,06372245
Namen und Bezeichner
- Bevorzugter Name
- N-acetyl-L-glutamic acid
- IUPAC
- (2S)-2-acetamidopentanedioic acid
- Lokaler Name
- N-Acetylglutaminsure
- Englischer Name
- N-Acetyl-L-glutamic acid
- Summenformel
- C7H11NO5
- Molmasse
- 189.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1188-37-0、5817-08-3- PubChem CID
- 70914
- DTXSID
DTXSID3046534- ChEMBL
CHEMBL1234751- ChEBI
CHEBI:17533- UNII
- MA61H539YZ
- Nikkaji
- J37.497K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,8
- Polarare Oberfläche (TPSA)
- 104 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 225
Experimentelle und physikochemische Eigenschaften
Solubility
52 mg/mL
Soluble
Sparingly soluble (in ethanol)
Melting Point
199
199 - 201 °C
Physical Description
Solid
White powder or white crystals; Savoury, cooked roasted
Collision Cross Section
141 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
139.63 Ų [M-H]- [CCS Type: DT; Method: stepped-field];149.63 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field];139.03 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
141.7 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
143.3 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];142.4 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];136.9 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
142.5 Ų [M+Na]+;143.5 Ų [M-2H+Na]-;137 Ų [M-H]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 194 · 194-196 °C(lit.)
- Siedepunkt
- 324.41 °C · 324.41°C (rough estimate)
- Dichte
- 1.4119 · 1.4119 (rough estimate)
- FEMA
- 4752 · 4752 | N-ACETYL GLUTAMATE
- Brechungsindex
- -15 ° · -15 ° (C=1, H2O)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 36 g/l · 36g/l (Lit.)
- pka
- 3.45 · 3.45±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White
- Wasserlöslichkeit
- 2.7 g/100 · 2.7 g/100 mL (20 ºC)
- JECFA Number
- 2269 · 2269
- BRN
- 1727473 · 1727473
- Major Application
- peptide synthesis
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING
- InChI
- 1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
- InChIKey
- RFMMMVDNIPUKGG-YFKPBYRVSA-N
- SMILES
- CC(=O)N[C@@H](CCC(O)=O)C(O)=O
- LogP
- -2.131 · -2.131 (est)
- CAS Datenbank
- 1188 · 1188-37-0(CAS DataBase Reference)
- NIST chemische Informationen
- N-acetyl-l-glutamic acid(1188-37-0)
- EPA chemische Informationen
- L-Glutamic acid, N-acetyl- (1188-37-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 93.8% (15 of 16) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 15 of 16 companies (only 6.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 16 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 15 of 16 reports by companies.;There is 1 notification provided by 1 of 16 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
Status: Active Update: 27-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26044;Status: Cease Manufacture Update: 24-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16366
L-Glutamic acid, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
Toxicity Summary
The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl Glutamic Acid
Safe for use in cosmetics, with qualifications
Regulatorische Informationen
Regulatory Information
Status: Active Update: 27-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26044;Status: Cease Manufacture Update: 24-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16366
L-Glutamic acid, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29241900
- RTECS-Nr.
- LZ9725000
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Cosmetics -> Skin conditioning
General Manufacturing Information
L-Glutamic acid, N-acetyl-: ACTIVE
Glutamic acid, N-acetyl-: INACTIVE
Anwendungen
VerwendenN-Acetyl-L-glutamic Acid is the N-Acetyl analogue of the non-essential amino acid, L-glutamic acid (G596960). N-Acetyl-L-glutamic Acid activates carbamoyl phosphate synthetase in the urea cycle.
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