Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 255-713-1 | CAS number: 42222-50-4
Reference substances
- IUPAC name:
- 2,2-dimethyl-1,3-propanediyl dioleate
Inventory
- EC number:
- 255-713-1
- EC name:
- 2,2-dimethyl-1,3-propanediyl dioleate
- CAS number:
- 42222-50-4
- CAS number:
- 42222-50-4
Synonyms
- Names:
- 2,2-dimethylpropane-1,3-diyl bisoctadec-9-enoate
- 9-Octadecenoic acid (9Z)-, 2,2-dimethyl-1,3-propanediyl ester
- 9-Octadecenoic acid (Z)-, 2,2-dimethyl-1,3-propanediyl ester
- Identifier:
- IUPAC name
- 2,2-dimethyl-1,3-propanediyl dioleate
- Identifier:
- IUPAC name
- 2,2-dimethyl-3-[(9Z)-octadec-9-enoyloxy]propyl (9Z)-octadec-9-enoate
- Identifier:
- IUPAC name
- Fatty acids, C16-18 and C18-unsatd., diesters with neopentylglycol
- Identifier:
- other: SMILES notation
- CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)(C)C
- Identifier:
- other: SMILES notation
- CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC\C=C/CCCCCCCC
- Identifier:
- other: InChl
- InChI=1/C41H76O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(42)44-37-41(3,4)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-38H2,1-4H3
- Identifier:
- other: InChl
- InChI=1S/C41H76O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(42)44-37-41(3,4)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-38H2,1-4H3
- Identifier:
- other: InChl
- InChI=1S/C41H76O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(42)44-37-41(3,4)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-38H2,1-4H3/b21-19-,22-20-
- Identifier:
- other: InChl
- InChI=1S/C41H76O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(42)44-37-41(3,4)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-38H2,1-4H3/b21-19-,22-20-
- 2,2-dimethylpropane-1,3-diyl bisoctadec-9-enoate
Molecular and structural information
- Molecular formula:
- C41H76O4
- Molecular weight:
- 632
- SMILES notation:
- O=C(OCC(C)(C)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
- InChl:
- InChI=1S/C41H76O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(42)44-37-41(3,4)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-38H2,1-4H3/b21-19-,22-20-
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
