Grundinformationen
- CAS
3417-91-2- Standard-SMILES
COC(=O)[C@@H](N)Cc1ccc(O)cc1.Cl- InChIKey
VXYFARNRGZWHTJ-FVGYRXGTSA-N- Summenformel
- C10H14ClNO3
- Durchschnittliche Molmasse
- 231,67 g/mol
- Monoisotopische Masse
- 231,066221
Namen und Bezeichner
- Bevorzugter Name
- Methyl tyrosinate hydrochloride
- IUPAC
- methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
- Lokaler Name
- Methyl-L-tyrosinathydrochlorid
- Englischer Name
- Methyl L-tyrosinate hydrochloride
- Summenformel
- C10H14ClNO3
- Molmasse
- 231.68
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3417-91-2- PubChem CID
- 76956
- DTXSID
DTXSID20883973- ChEMBL
CHEMBL1221906- UNII
- W42M0MI271
- EC Number
- 222-313-3
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 72,6 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 188
Physikochemische Eigenschaften
- Schmelzpunkt
- 192 °C · 192 °C (dec.)(lit.)
- Brechungsindex
- 13 ° · 13 ° (C=2, MeOH)
- storage temp.
- 2 · 2-8°C
- Wasserlöslichkeit
- very faint turbidity in Water
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- BRN
- 3917353 · 3917353
- Major Application
- peptide synthesis
- Kosmetik-Inhaltsstoffe Funktionen
- HAIR CONDITIONING
- InChI
- InChI=1/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/s3
- InChIKey
- VXYFARNRGZWHTJ-OVMXBOEKNA-N
- SMILES
- C1(C=CC(O)=CC=1)C[C@H](N)C(=O)OC.Cl |&1:8,r|
- CAS Datenbank
- 3417 · 3417-91-2(CAS DataBase Reference)
- EPA chemische Informationen
- L-Tyrosine, methyl ester, hydrochloride (3417-91-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 3.6% (3 of 83) of reports.
Warning
H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (96.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.2%): 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, 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 83 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 83 reports by companies.;There are 5 notifications provided by 80 of 83 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
Chemical: L-Tyrosine, methyl ester, hydrochloride;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 05-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27402
Methyl L-tyrosinate hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Regulatorische Informationen
Regulatory Information
Chemical: L-Tyrosine, methyl ester, hydrochloride;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 05-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27402
Methyl L-tyrosinate hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29225000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
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