Basic information
- CAS
14246-53-8- Standard SMILES
CCCCCCCC(=O)NCC(=O)O- InChIKey
SAVLIIGUQOSOEP-UHFFFAOYSA-N- Molecular formula
- C10H19NO3
- Average molar mass
- 201.26 g/mol
- Monoisotopic mass
- 201.13649347
Overview
N-octanoylglycine is an N-acylglycine that has octanoyl as the acyl group. It has a role as a metabolite. It is a N-acylglycine and a fatty amide. It is functionally related to a glycine and an octanoic acid. It is a conjugate acid of a N-octanoylglycinate.
Names & identifiers
- Preferred name
- Capryloyl Glycine
- IUPAC
- 2-(octanoylamino)acetic acid
- English name
- Caprylylglycine
- Molecular formula
- C10H19NO3
- Molecular weight
- 201.26
Names & synonyms
14246-53-8Capryloyl glycinecapryloylglycineN-(1-Oxooctyl)glycineGlycine, N-(1-oxooctyl)-8TY5YO42NJEINECS 238-122-3DTXSID9065736EC 238-122-3CAPRYLOYL GLYCINE [WHO-DD]RefChem:573777CAPRYLOYL GLYCINE [INCI]
Show more names
BRIFANOctyl glycineBrillian-KS26CaprylylglycinelCAPRYLOYL GLYCINN-CapryloylglycineN-Octanoylglycine-d2
DTXCID1034638238-122-32-octanamidoacetic acidCaprylylglycineN-Octanoylglycine2-(octanoylamino)acetic acidoctanoylglycineMFCD00154701
Database identifiers
- CAS
14246-53-8- PubChem CID
- 84290
- DTXSID
DTXSID9065736- ChEBI
CHEBI:74099- UNII
- 8TY5YO42NJ
- EC Number
- 238-122-3
- Nikkaji
- J216.923A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Capryloyl Glycine) -> CIR (Cosmetic Ingredient Review)
Cleansing
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 102 · 102-103 °C
- Boiling point
- 403.9 · 403.9±28.0 °C(Predicted)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.62 · 3.62±0.10(Predicted)
- color
- White to Off-White
- Water Solubility
- 1.557 g/L · 1.557g/L at 20℃
- Cosmetics Ingredients Functions
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 3.4% (1 of 29) of reports.
Danger
H318 (93.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 29 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Glycine, N-(1-oxooctyl)-
REACH registered substance: N-(1-oxooctyl)glycine (EC: 238-122-3)
Glycine, N-(1-oxooctyl)-: 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.
Hazard Classes and CategoriesEye Dam. 1 (93.1%)
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...Capryloyl Glycine
Safe for use in cosmetics, with qualifications
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
UsesCIR ingredient: Capryloyl Glycine
Use ClassificationCosmetics -> Cleansing
General Manufacturing InformationGlycine, N-(1-oxooctyl)-: ACTIVE
Applications
UsesN-Octanoylglycine is a derivative of Glycine (G615990) and is an amphiphilic lipoamino acid commonly used in cosmetics for its antibacterial properties. N-Octanoylglycine is the active ingredient in products designed to treat seborrheic dermatitis on the scalp and acne prone skin.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
3 records
Compound notes
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