Basic information
- CAS
106-01-4- Standard SMILES
CCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCC- InChIKey
RTGQGAXEHFZMBG-UHFFFAOYSA-N- Molecular formula
- C22H42O5
- Average molar mass
- 386.6 g/mol
- Monoisotopic mass
- 386.30322444
Overview
The CIR Expert Panel concluded that butylene glycol diisononanoate, cetearyl isononanoate, cetearyl nonanoate, cetyl isononanoate, cholesteryl nonanoate, diethylene glycol diethyl-hexanoate/ diisononanoate, dipentaerythrityl pentaisononanoate, ethylhexyl isononanoate, isodecyl isononanoate, isononyl isononanoate, isotridecyl isononanoate, neopentyl glycol diisononanoate, PEG-2 diisononanoate, PEG-5 isononanoate, pentaerythrityl tetraisononanaote, polyglyceryl-20 octaisononanoate, tridecyl isononanoate, ethylhexyl pelargonate, pentaerythrityl tetrapelargonate, cellobiose octanonanoate, diethylene glycol diisononanoate, dihydrocholesteryl nonanoate, glycereth-7 diisononanoate, isostearyl isononanoate, phytosteryl nonanoate, propylene glycol diisononanoate, ethyl pelargonate, isobutyl pelargonate, methyl pelargonate, neopentyl glycol dicaprylate/dipelargonate/dicaprate, and pelargonic acid are safe as cosmetic ingredients in the present practices of use and concentration described in this safety assessment.
Names & identifiers
- Preferred name
- Diethylene glycol dinonanoate
- IUPAC
- 2-(2-nonanoyloxyethoxy)ethyl nonanoate
- English name
- 2,2'-Oxy(diethyl dipelargonate)
- Molecular formula
- C22H42O5
- Molecular weight
- 386.57
Names & synonyms
Diethylene glycol dinonanoateDiethylene glycol dipelargonateNonanoic acid, oxydi-2,1-ethanediyl esterOxydiethylene dinonanoateL0M9V67KIQPEG-2 DiisononanoatePLASTOLEIN 9055DTXSID4059330Nonanoic acid, 1,1'-(oxydi-2,1-ethanediyl) esterPELARGONIC ACID DIETHYLENE GLYCOL ESTERRefChem:587366DTXCID1032985
Show more names
2,2'-Oxybisethanol dinonanoate2,2'-Oxybisethanol bisnonanoate3-OXAPENTAMETHYLENE DINONANOATEDIETHYLENE GLYCOL DIISONONANOATEBisnonanoic acid oxybis(2,1-ethanediyl) esterBisnonanoic acid 2,2'-oxybis(ethan-1-yl) ester
2-(2-nonanoyloxyethoxy)ethyl nonanoate2,2'-OXY(DIETHYL DIPELARGONATE)2,2/'-OXY(DIETHYL DIPELARGONATE)SCHEMBL29369810Oxydi(ethane-2,1-diyl) dinonanoate2,2'-Oxybis(ethane-2,1-diyl) dinonanoateNS00013578H36345
Database identifiers
- CAS
106-01-4
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 22
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (PEG-2 Diisononanoate) -> CIR (Cosmetic Ingredient Review)
Emollient; Plasticiser; Emulsifying; Hair conditioning
Physicochemical properties
- Boiling point
- 169 · 169-170 °C(Press: 3 Torr)
- Density
- 0.9709 g/cm3 · 0.9709 g/cm3
- Cosmetic Ingredient Review (CIR)
- 2 · 2,2'-OXY(DIETHYL DIPELARGONATE) (106-01-4)
- LogP
- 7.365 · 7.365 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 M9V67KIQ · L0M9V67KIQ
- EPA Substance Registry System
- -2 · Nonanoic acid, oxydi-2,1-ethanediyl ester (106-01-4)
- 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.
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that butylene glycol diisononanoate, cetearyl isononanoate, cetearyl nonanoate, cetyl isononanoate, cholesteryl nonanoate, diethylene glycol diethyl-hexanoate/ diisononanoate, dipentaerythrityl pentaisononanoate, ethylhexyl isononanoate, isodecyl isononanoate, isononyl isononanoate, isotridecyl isononanoate, neopentyl glycol diisononanoate, PEG-2 diisononanoate, PEG-5 isononanoate, pentaerythrityl tetraisononanaote, polyglyceryl-20 octaisononanoate, tridecyl isononanoate, ethylhexyl pelargonate, pentaerythrityl tetrapelargonate, cellobiose octanonanoate, diethylene glycol diisononanoate, dihydrocholesteryl nonanoate, glycereth-7 diisononanoate, isostearyl isononanoate, phytosteryl nonanoate, propylene glycol diisononanoate, ethyl pelargonate, isobutyl pelargonate, methyl pelargonate, neopentyl glycol dicaprylate/dipelargonate/dicaprate, and pelargonic acid are safe as cosmetic ingredients in the present practices of use and concentration described in this safety assessment.
Safe for use in cosmetics, with qualifications
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: PEG-2 Diisononanoate
Use ClassificationCosmetics -> Emollient; Plasticiser; Emulsifying; Hair conditioning
Suppliers5 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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