(+)-Pantothenyl ethyl ether
Basic information
- CAS
667-83-4- Standard SMILES
CCOCCCNC(=O)[C@H](O)C(C)(C)CO- InChIKey
MRAMPOPITCOOIN-VIFPVBQESA-N- Molecular formula
- C11H23NO4
- Average molar mass
- 233.3 g/mol
- Monoisotopic mass
- 233.16270821
Overview
found in hair lotion; causes dermatitis; structure given in first source
Names & identifiers
- Preferred name
- (+)-Pantothenyl ethyl ether
- IUPAC
- (2R)-N-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
- English name
- Pantothenyl ethyl ether
- Molecular formula
- C11H23NO4
- Molecular weight
- 233.3
Names & synonyms
Panthenyl ethyl ether667-83-4ORISTAR PEERITAPAN EEF4WMF8NX3BButanamide, N-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethyl-, (2R)-(+)-PANTOTHENYL ETHYL ETHERRefChem:858491211-569-1Pantothenyl ethyl ether(2r)-n-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide(R)-N-(3-Ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
Show more names
PantylPanthenylethyletherD-PANTHENYLETHYLETHERLABOTEST-BB LT00847551D-panthenol ethyl etherPentothenyl ethyl etherDL-PANTHENOL ETHYL ETHERDexpanthenol ethyl etherDexpanthenol Impurity 18
ethyl panthenolpanthenol ethyl etherPROVITAMIN B3(+)-N-(3-Ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutyramidePantothenyl ethylether (JAN)PANTOTHENYL ETHYLETHER [JAN]UNII-F4WMF8NX3BEINECS 211-569-1
Database identifiers
- CAS
667-83-4- PubChem CID
- 94184
- DTXSID
DTXSID20904738- UNII
- F4WMF8NX3B
- EC Number
- 211-569-1
- Nikkaji
- J186.566H
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Panthenyl Ethyl Ether) -> CIR (Cosmetic Ingredient Review)
Antistatic; Hair conditioning
Physicochemical properties
- Boiling point
- 443.8 · 443.8±45.0 °C(Predicted)
- Density
- 1.073 g/mL · 1.073 g/mL at 20 °C(lit.)
- Flash point
- 110 °C · 110 °C
- pka
- 13.04 · 13.04±0.20(Predicted)
- Cosmetics Ingredients Functions
- HAIR CONDITIONINGANTISTATIC
- Cosmetic Ingredient Review (CIR)
- Pantothenyl ethyl ether (667-83-4)
- FDA UNII
- 4 WMF8NX3B · F4WMF8NX3B
- Safety Statements
- 23 · 23-24/25
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 100% (45 of 45) of all reports.
Not Classified
Aggregated GHS information provided per 45 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Butanamide, N-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethyl-,(R)-
Panthenyl ethyl ether: 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 CategoriesNot Classified
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- safety_code
- 23-24/25
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Panthenyl Ethyl Ether
Household ProductsInformation on 277 consumer products that contain Panthenyl ethyl ether in the following categories is provided:
Use ClassificationCosmetics -> Antistatic; Hair conditioning
Suppliers
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Related reactions
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Compound notes
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