5-Methyl-2,3-hexanedione (CAS 13706-86-0) — formula C7H12O2, molecular weight 128.08 g/mol.
| CAS Number | 13706-86-0 |
|---|---|
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08 g/mol |
| Boiling Point | 138 °C |
| LogP | 0.9 |
5-Methyl-2,3-hexanedione is a chemical compound with CAS registry number 13706-86-0 and molecular formula C7H12O2 (molecular weight 128.08 g/mol).
CAS number: 13706-86-0
Its molecular formula C7H12O2 comprises 7 C, 12 H, 2 O atoms.
Also known as: 5-Methyl-2,3-hexanedione · Methylhexanedione
The CAS registry number of 5-Methyl-2,3-hexanedione is 13706-86-0.
Molecular formula C7H12O2, molecular weight 128.08 g/mol.
It is also registered under: 5-Methyl-2,3-hexanedione, Methylhexanedione.
Independent reference data for 5-Methyl-2,3-hexanedione (CAS 13706-86-0), compiled from public chemistry databases.
| CAS Registry Number | 13706-86-0 |
|---|---|
| PubChem CID | 26204 |
| Molecular formula | C7H12O2 |
| Molecular weight | 128.08 g/mol |
| IUPAC name | 5-methylhexane-2,3-dione |
| InChIKey | PQCLJXVUAWLNSV-UHFFFAOYSA-N |
| UNII (FDA) | ZI95KZ32L4 |
| ChEBI ID | CHEBI:173493 |
| FEMA number | 3190 |
| JECFA number | 414 |
| Molecular Weight | 128.17 |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 128.083729621 |
| Monoisotopic Mass | 128.083729621 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 138 °C |
|---|---|
| Density | 0.908 (22 °C) |
| Refractive Index | 1.408-1.414 |
5-Methylhexane-2,3-dione; 5-Methyl-2,3-hexanedione; 13706-86-0; Acetyl isovaleryl; 2,3-HEXANEDIONE, 5-METHYL-; Acetylisopentanoyl; Acetyl isopentanoyl; Acetylisovaleryl; 2-Methylhexa-4,5-dione; FEMA No. 3190; DTXSID7049215; EINECS 237-241-8; UNII-ZI95KZ32L4; Isobutylmethylglyoxal; BRN 1745751; ZI95KZ32L4
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H317 (91.7%) |
|---|
H317 (91.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
5-Methyl-2,3-hexanedione is identified by CAS 13706-86-0, molecular formula C7H12O2 and molecular weight 128.08 g/mol. UNII ZI95KZ32L4; ChEBI 173493; InChIKey PQCLJXVUAWLNSV-UHFFFAOYSA-N. Boiling Point: 138 °C; Density: 0.908 (22 °C); Refractive Index: 1.408-1.414.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-Methyl-2,3-hexanedione