Registration Dossier
Registration Dossier
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EC number: 246-771-9 | CAS number: 25265-77-4
Reference substances
- IUPAC name:
- 3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate
Inventory
- EC number:
- 246-771-9
- EC name:
- Isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol
- CAS number:
- 25265-77-4
- CAS number:
- 25265-77-4
Synonyms
- Names:
- Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol
- Identifier:
- IUPAC name
- 1-hydroxy-2,2,4-trimethylpentan-3-yl 2-methylpropanoate 3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate
- Identifier:
- IUPAC name
- 3-hydroxy-2,2,4-trimethylpentyl isobutyrate 1-hydroxy-2,2,4-trimethylpentane-3-yl isobutyrate
- Identifier:
- IUPAC name
- isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol
- Identifier:
- other: Molecular formula
- C24H48O6
- Identifier:
- other: SMILES notation
- CC(C)C(C(C)(C)COC(=O)C(C)C)O; C(C(C)(C)C(OC(=O)C(C)C)C(C)C)O[H]
- Identifier:
- other: SMILES notation
- CC(C)C(O)C(C)(C)COC(=O)C(C)C.C(O)C(C)(C)C(C(C)C)OC(=O)C(C)C
- Identifier:
- other: InChl
- InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
- Identifier:
- other: InChl
- InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3; InChI=1S/C12H24O3/c1-8(2)10(12(5,6)7-13)15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
Molecular and structural information
- Molecular formula:
- C12H24O3
- Molecular weight:
- 216.317
- SMILES notation:
- CC(C)C(O)C(C)(C)COC(=O)C(C)C
- InChl:
- InChI=1/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
- Structural formula:
Related substances
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