Basic information
- CAS
41395-83-9- Standard SMILES
CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC- InChIKey
SGRCVQDBWHCTIS-UHFFFAOYSA-N- Molecular formula
- C21H40O4
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.29265975
Overview
The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use and concentration described in this safety assessment in cosmetics when formulated to be non-irritating...Propylene Glycol Dipelargonate...
Names & identifiers
- Preferred name
- Propylene Glycol Dipelargonate
- IUPAC
- 2-nonanoyloxypropyl nonanoate
- English name
- Propylene glycol dipelargonate
- Molecular formula
- C21H40O4
- Molecular weight
- 356.54
Names & synonyms
PROPYLENE GLYCOL DIPELARGONATE41395-83-9DERMOL PGDPPELEMOL PGDPDTXSID3047182SCHERCEMOL PGDP ESTERH33537B5VD1,2-PROPANEDIOL DINONANOATEUNII-H33537B5VDDTXCID1027182Nonanoic acid, 1-methyl-1,2-ethanediyl esterEINECS 255-350-9
Show more names
Emerest 2388propylenedinonanoate1,2-Propylene glycol dinonanoate1,2-Propylene glycol dipelargonateDinonanoic acid 1,2-propanediyl esterNonanoicacid,1-methyl-1,2-ethanediylesternonanoicacid1-methyl-2-nonanoyloxy-ethylesterNonanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester
RefChem:176540PROPYLENE GLYCOL DIPELARGONATE [INCI]255-350-92-nonanoyloxypropyl nonanoatePropylene dinonanoatePropylene glycol dinonanoatePropane-1,2-diyl dinonanoateSCHEMBL480302
Database identifiers
- CAS
41395-83-9
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Propylene Glycol Dipelargonate) -> CIR (Cosmetic Ingredient Review)
Viscosity controlling; Emollient
Collision Cross Section207.9 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3047182]
Physicochemical properties
- Boiling point
- 426.1 · 426.1±18.0 °C(Predicted)
- Density
- 0.8727 g/cm3 · 0.8727 g/cm3(Temp: 80 °C)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTVISCOSITY CONTROLLING
- LogP
- 7.6 at · 7.6 at 20℃
- FDA UNII
- 33537 B5VD · H33537B5VD
- EPA Substance Registry System
- Propylene glycol dinonanoate (41395-83-9)
- TSCA
- TSCA listed
- REACH Registrations
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% (119 of 119) of all reports.
Not Classified
Aggregated GHS information provided per 119 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Nonanoic acid, 1-methyl-1,2-ethanediyl ester
REACH registered substance: Propylene dinonanoate (EC: 255-350-9)
Nonanoic acid, 1-methyl-1,2-ethanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
EPA Safer ChemicalChemical: Propylene glycol dinonanoate
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use and concentration described in this safety assessment in cosmetics when formulated to be non-irritating...Propylene Glycol Dipelargonate...
Safe for use in cosmetics, with qualifications
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Propylene Glycol Dipelargonate
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
Cosmetics -> Viscosity controlling; Emollient
General Manufacturing InformationNonanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers6 total
北京华美互利生物化工010-56205725 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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