Registration Dossier
Registration Dossier
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EC number: 246-771-9 | CAS number: 25265-77-4
Reference substances
- IUPAC name:
- 3-hydoxy-2,2,4-trimethylpentyl isobutyrate
Inventory
- EC number:
- 201-049-2
- EC name:
- 3-hydroxy-2,2,4-trimethylpentyl isobutyrate
- CAS number:
- 77-68-9
- CAS number:
- 77-68-9
Synonyms
- Names:
- 1,3-Pentanediol, 2,2,4-trimethyl-, 1-isobutyrate
- 2,2,4-Trimethyl-1,3-pentanediol 1-isobutyrate
- Isobutyric acid, 3-hydroxy-2,2,4-trimethylpentyl ester
- Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester
- Identifier:
- IUPAC name
- (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate
- Identifier:
- IUPAC name
- 3-hydoxy-2,2,4-trimethylpentyl acetate
- Identifier:
- IUPAC name
- 3-hydroxy-2,2,4-trimethylpentyl 2-methyl propanoate
- Identifier:
- IUPAC name
- 3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate
- Identifier:
- IUPAC name
- 3-hydroxy-2,2,4-trimethylpentyl isobutyrate
- Identifier:
- other: SMILES notation
- CC(C)C(=O)OCC(C)(C)C(C(C)C)O
- Identifier:
- other: SMILES notation
- CC(C)C(C(C)(C)COC(=O)C(C)C)O
- Identifier:
- other: SMILES notation
- CC(C)C(O)C(C)(C)COC(=O)C(C)C
- Identifier:
- other: 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
Molecular and structural information
- Molecular formula:
- C12H24O3
- Molecular weight:
- > 216 - < 217
- SMILES notation:
- CC(C)C(OCC(C)(C)C(O)C(C)C)=O
- 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
- Structural formula:
Related substances
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