Grundinformationen
- Standard-SMILES
CSCC[C@H](NC(C)=O)C(=O)O- InChIKey
XUYPXLNMDZIRQH-LURJTMIESA-N- Summenformel
- C7H13NO3S
- Durchschnittliche Molmasse
- 191,25 g/mol
- Monoisotopische Masse
- 191,06161445
Namen und Bezeichner
- Bevorzugter Name
- N-acetyl-L-methionine
- IUPAC
- (2S)-2-acetamido-4-methylsulfanylbutanoic acid
- Lokaler Name
- N-Acetyl-L-methionin
- Englischer Name
- N-Acetyl-L-methionine
- Summenformel
- C7H13NO3S
- Molmasse
- 191.25
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
65-82-7- PubChem CID
- 448580
- DTXSID
DTXSID00883214- ChEBI
CHEBI:21557- UNII
- 9J12WX5B6A
- EC Number
- 200-617-7
- Nikkaji
- J4.840B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 91,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 172
Experimentelle und physikochemische Eigenschaften
Solubility
307000
307mg/mL at 25 °C
Melting Point
105.5
105.5 °C
Collision Cross Section
150.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];142.6 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
142.7 Ų [M-H]-;150.2 Ų [M+Na]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 103 · 103-106 °C(lit.)
- Siedepunkt
- 235 °C · 235 °C(Press: 12 Torr)
- Dichte
- 1.2684 · 1.2684 (rough estimate)
- Brechungsindex
- -21 ° · -21 ° (C=1, H2O)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 100 mg/mL, · methanol: soluble100mg/mL, clear, colorless
- Aggregatzustand
- Solid
- pka
- 3.5 · 3.50±0.10(Predicted)
- Farbe
- White to Off-White
- Merck
- 14 · 14,96
- BRN
- 1725552 · 1725552
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- Major Application
- peptide synthesis
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING
- InChI
- 1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
- InChIKey
- XUYPXLNMDZIRQH-LURJTMIESA-N
- SMILES
- CSCC[C@H](NC(C)=O)C(O)=O
- LogP
- -0.885 · -0.885 (est)
- CAS Datenbank
- 65 · 65-82-7(CAS DataBase Reference)
- NIST chemische Informationen
- N-acetylmethionine(65-82-7)
- EPA chemische Informationen
- L-Methionine, N-acetyl- (65-82-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 57.1% (4 of 7) of all reports.
Danger
H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 7 reports by companies.;There are 3 notifications provided by 3 of 7 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
Regulation (EC) No 178/2002 (amended)
L-Methionine, N-acetyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
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 Methionine
Safe for use in cosmetics, with qualifications
Regulatorische Informationen
Regulatory Information
Regulation (EC) No 178/2002 (amended)
L-Methionine, N-acetyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29309070
- RTECS-Nr.
- PD0480000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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Ergänzende Hinweise
DefinitionChEBI: An L-methionine derivative that is L-methionine in which one of the amine hydrogens is substituted by an acetyl group.
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