2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid
Basic information
- CAS
110-25-8- Standard SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)N(C)CC(=O)O- InChIKey
DIOYAVUHUXAUPX-ZHACJKMWSA-N- Molecular formula
- C21H39NO3
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.29299411
Names & identifiers
- Preferred name
- 2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid
- IUPAC
- 2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid
- English name
- N-OLEOYLSARCOSINE
- Molecular formula
- C21H39NO3
- Molecular weight
- 353.54
Names & synonyms
N-Cis-Octadecenoyl SarcosineMFCD000493812-[methyl-[(E)-octadec-9-enoyl]amino]acetic acidGlycine, (Z)-N-cis-OctadecenoylsarcosineSCHEMBL2557574DTXSID60859192NSC96995N-Methyl-N-[(9E)-octadec-9-enoyl]glycineNS00003064OLEOYL SARCOSINEN-OLEYL SARCOSINE
Show more names
N-Methyloleamidoacetic acid(Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycineSARKOSYL OOleic sarcosineOleic acid sarcosineN-Oleoyl sarcosine acidN-CIS-9-OCTADECANOYLSARCOSINE2-(N-MethyloleaMido)acetic acid
Database identifiers
- CAS
110-25-8- PubChem CID
- 5879967
- DTXSID
DTXSID60859192- Nikkaji
- J441.597C
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Melting point
- 16.1 · 16.1-17.0℃
- Boiling point
- 499.4 · 499.4±38.0 °C(Predicted)
- Density
- 0.961 · 0.961
- Flash point
- 221 °C · 221°C
- storage temp.
- Store at room temperature
- pka
- 3.62 · 3.62±0.10(Predicted)
- Odor
- 100 % · at 100.00%. bland
- Appearance
- Light yellow to yellow Liquid
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- Cosmetics Ingredients Functions
- SURFACTANT - CLEANSINGANTISTATICHAIR CONDITIONINGCLEANSING
- Cosmetic Ingredient Review (CIR)
- N-OLEOYLSARCOSINE (110-25-8)
- InChI
- InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)/b11-10-
- InChIKey
- DIOYAVUHUXAUPX-KHPPLWFESA-N
- SMILES
- C(O)(=O)CN(C)C(=O)CCCCCCC/C=C\CCCCCCCC
- LogP
- 6.998 · 6.998 (est)
- CAS DataBase Reference
- 110 · 110-25-8(CAS DataBase Reference)
- FDA 21 CFR
- 178.313 · 178.3130; 178.3570
- Indirect Additives used in Food Contact Substances
- OLEOYL SARCOSINE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4011 K1S96Y · 4011K1S96Y
- EPA Substance Registry System
- Oleyl sarcosine (110-25-8)
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 332 · H332-H315-H318-H400
- Precautionary statements
- 501 · P501-P261-P273-P271-P264-P280-P302+P352-P391-P362+P364-P332+P313-P304+P340+P312-P305+P351+P338+P310
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- safety_code
- 26-36/37/39
- Hazard statements
- H332-H315-H318-H400
- Precautionary statements
- P501-P261-P273-P271-P264-P280-P302+P352-P391-P362+P364-P332+P313-P304+P340+P312-P305+P351+P338+P310
Chemistry & industry
Applications
DescriptionN-oleoylsarcosine is a molecule renowned for its excellent friction-reducing properties. It is used as a rust inhibitor and preservative, and it is believed that its amino acid groups form chelate structures with metal surfaces[1].
Uses2-(N-Methyloleamido)acetic acid (cas# 110-25-8) is used as an anti-tarnishing sunscreen additive for lubricating oil and grease.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Oleoyl sarcosine is a N-acyl-amino acid.
Related reactions
0 records
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Compound notes
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