Basic information
- CAS
65-82-7- Standard SMILES
CSCC[C@H](NC(C)=O)C(=O)O- InChIKey
XUYPXLNMDZIRQH-LURJTMIESA-N- Molecular formula
- C7H13NO3S
- Average molar mass
- 191.25 g/mol
- Monoisotopic mass
- 191.06161445
Names & identifiers
- Preferred name
- N-acetyl-L-methionine
- IUPAC
- (2S)-2-acetamido-4-methylsulfanylbutanoic acid
- English name
- N-Acetyl-L-methionine
- Molecular formula
- C7H13NO3S
- Molecular weight
- 191.25
Names & synonyms
Show more names
Database identifiers
- CAS
65-82-7- PubChem CID
- 448580
- DTXSID
DTXSID00883214- ChEBI
CHEBI:21557- UNII
- 9J12WX5B6A
- EC Number
- 200-617-7
- Nikkaji
- J4.840B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
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]+
Physicochemical properties
- Melting point
- 103 · 103-106 °C(lit.)
- alpha
- -20 · -20 º (c=4 H2O)
- Boiling point
- 235 °C · 235 °C(Press: 12 Torr)
- Density
- 1.2684 · 1.2684 (rough estimate)
- refractive index
- -21 ° · -21 ° (C=1, H2O)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 100 mg/mL, · methanol: soluble100mg/mL, clear, colorless
- form
- Solid
- pka
- 3.5 · 3.50±0.10(Predicted)
- color
- White to Off-White
- optical activity
- 20 · [α]20/D -21.0±1.0°, c = 1% in H2O
- Merck
- 14 · 14,96
- BRN
- 1725552 · 1725552
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Major Application
- peptide synthesis
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- Cosmetic Ingredient Review (CIR)
- N-Acetyl-L-methionine (65-82-7)
- 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 DataBase Reference
- 65 · 65-82-7(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- N-ACETYL-L-METHIONINE
- FDA 21 CFR
- 172.372 · 172.372
- FDA UNII
- 9 J12WX5B6A · 9J12WX5B6A
- NIST Chemistry Reference
- N-acetylmethionine(65-82-7)
- EPA Substance Registry System
- L-Methionine, N-acetyl- (65-82-7)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25-36-26
- WGK Germany
- 3 · 3
- RTECS
- 480000 · PD0480000
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29309070 · 29309070
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
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.
Hazard information
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.
Toxicology
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
Regulatory information
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.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PD0480000
- hs_code
- 29309070
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Pharmacology
Uses & manufacturing
Applications
UsesN-Acetyl-L-methionine (CAS# 65-82-7) has been useful in the study of metabolic phenotypes of standard and cold-stored platelets.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Additional notes
DefinitionChEBI: An L-methionine derivative that is L-methionine in which one of the amine hydrogens is substituted by an acetyl group.
Related reactions
Compound notes
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