Registration Dossier
Registration Dossier
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EC number: 291-445-1 | CAS number: 90411-68-0
Reference substances
- IUPAC name:
- Hexanoic acid, 2-ethyl, C16-18 alkyl esters
Inventory
- EC number:
- 291-445-1
- EC name:
- Hexanoic acid, 2-ethyl-, C16-18-alkyl esters
- CAS number:
- 90411-68-0
- CAS number:
- 90411-68-0
Synonyms
- Names:
- Hexanoic acid, 2-ethyl, C16-18 alkyl esters
- Identifier:
- IUPAC name
- 90411-68-0
- Identifier:
- IUPAC name
- Hexanoic acid, 2-ethyl-, C16-18-alkyl esters
- Identifier:
- other: SMILES notation
- CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC
- Identifier:
- other: InChl
- Examples for InChl notation: InChI=1/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3 and InChI=1/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-26(27)25(6-3)23-8-5-2/h25H,4-24H2,1-3H3
- Identifier:
- other: InChl
- Examples for InChl notation: InChI=1/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3 and InChI=1/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-26(27)25(6-3)23-8-5-2/h25H,4-24H2,1-3H3
- Identifier:
- other: InChl
- Examples for InChl notation: InChI=1/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3 and InChI=1/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-26(27)25(6-3)23-8-5-2/h25H,4-24H2,1-3H3
- Identifier:
- other: SMILES notation
- Examples for SMILES notation: CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC and CCCCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC
- Identifier:
- other: SMILES notation
- Examples for SMILES notation: CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC and CCCCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC
- Identifier:
- other: Molecular formula
- Not applicable as substance is a UVCB
- Identifier:
- other: SMILES notation
- Not applicable as substance is a UVCB
- Identifier:
- other: InChl
- Not applicable as substance is a UVCB
- Identifier:
- other: Molecular formula
- Not available as UVCB
- Identifier:
- other: SMILES notation
- Not available as UVCB
- Identifier:
- other: InChl
- Not available as UVCB
- Identifier:
- other: SMILES notation
- UVCB
- Identifier:
- other: InChl
- UVCB
- Identifier:
- other: Molecular formula
- n.a. (UVCB substance)
- Identifier:
- other: InChl
- nChI=1/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3
Molecular and structural information
- Molecular formula:
- from C24H48O2 to C26H52O2
- Molecular weight:
- 368.6 - <= 396.7
- SMILES notation:
- Examples for SMILES notation:
CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC
and
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC - InChl:
- Examples for InChl notation:
InChI=1/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3
and
InChI=1/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-26(27)25(6-3)23-8-5-2/h25H,4-24H2,1-3H3 - 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.
