Diisooctyl azelate
Basic information
- CAS
106-03-6- Standard SMILES
CC(C)CCCCCOC(=O)CCCCCCCC(=O)OCCCCCC(C)C- InChIKey
CYNJQGPDCDNZBL-UHFFFAOYSA-N- Molecular formula
- C25H48O4
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.35526001
Names & identifiers
- Preferred name
- Diisooctyl azelate
- IUPAC
- bis(6-methylheptyl) nonanedioate
- English name
- Diisooctyl azelaate
- Molecular formula
- C25H48O4
- Molecular weight
- 412.65
Names & synonyms
Diisooctyl azelate26544-17-2Nonanedioic acid, diisooctyl esterNonanedioic acid, 1,9-diisooctyl esterEINECS 247-774-8DTXSID9067221RefChem:587842DTXCID0037524247-774-8Bis(6-methylheptyl) azelate106-03-6bis(6-methylheptyl) nonanedioate
Show more names
DiisooctylazelatCalciuma FormateDIISOCTYL AZELATEDiisooctyl nonanedioateDi-2-ethylhexy1 azelateDIISOOCTYL AZELATE, TECH.AZELAICACID,DIISOOCTYLESTER
DiisooCtyl azelaateEINECS 203-355-1SCHEMBL50203CYNJQGPDCDNZBL-UHFFFAOYSA-NMSK160454AKOS015916163DB-254026NS00019796
Database identifiers
- CAS
106-03-6、26544-17-2- PubChem CID
- 66934
- DTXSID
DTXSID9067221- EC Number
- 203-355-1、247-774-8
- Nikkaji
- J182.205E
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 354
Experimental & physicochemical properties
PlasticizersPlasticizer
Physicochemical properties
- Melting point
- 55 · 55-65 °C
- Boiling point
- 208 · 208-210 °C2 mm Hg(lit.)
- Density
- 0.905 g/mL · 0.905 g/mL at 25 °C(lit.)
- Pour Point
- -18 · -18
- refractive index
- 20 · n20/D 1.451(lit.)
- Flash point
- 230 °F · >230 °F
- form
- Liquid
- Viscosity
- 12.7 cs · 12.7cs (38C)
- EPA Substance Registry System
- Nonanedioic acid, diisooctyl ester (26544-17-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- -
- RTECS
- 2000000 · CM2000000
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (17 of 17) of all reports.
Not Classified
Aggregated GHS information provided per 17 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Nonanedioic acid, diisooctyl ester
Nonanedioic acid, diisooctyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- -
- tsca
- TSCA listed
- rtecs
- CM2000000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNonanedioic acid, 1,9-diisooctyl ester: ACTIVE
Suppliers
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Related reactions
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Compound notes
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