Acetaldehyde diisoamyl acetal (CAS 13002-09-0) — formula C12H26O2, molecular weight 202.19 g/mol.
| CAS Number | 13002-09-0 |
|---|---|
| Molecular Formula | C12H26O2 |
| Molecular Weight | 202.19 g/mol |
| Boiling Point | 210.00 °C. @ 760.00 mm Hg |
| LogP | 3.8 |
| Applications | Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
Documented applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Acetaldehyde diisoamyl acetal is a chemical compound with CAS registry number 13002-09-0 and molecular formula C12H26O2 (molecular weight 202.19 g/mol).
CAS number: 13002-09-0
Its molecular formula C12H26O2 comprises 12 C, 26 H, 2 O atoms.
Also known as: Acetaldehyde diisoamyl acetal · 1,1'-(Ethylidenebis(oxy))bis(3-methylbutane)
The CAS registry number of Acetaldehyde diisoamyl acetal is 13002-09-0.
Molecular formula C12H26O2, molecular weight 202.19 g/mol.
It is also registered under: Acetaldehyde diisoamyl acetal, 1,1'-(Ethylidenebis(oxy))bis(3-methylbutane).
Recorded applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Independent reference data for Acetaldehyde diisoamyl acetal (CAS 13002-09-0), compiled from public chemistry databases.
| CAS Registry Number | 13002-09-0 |
|---|---|
| PubChem CID | 83036 |
| Molecular formula | C12H26O2 |
| Molecular weight | 202.19 g/mol |
| IUPAC name | 3-methyl-1-[1-(3-methylbutoxy)ethoxy]butane |
| InChIKey | LXKCTPBHCJDSKC-UHFFFAOYSA-N |
| UNII (FDA) | C34X3NFO1A |
| ChEBI ID | CHEBI:178467 |
| FEMA number | 4024 |
| JECFA number | 1729 |
| Molecular Weight | 202.33 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 202.193280068 |
| Monoisotopic Mass | 202.193280068 |
| Topological Polar Surface Area | 18.5 |
| Heavy Atom Count | 14 |
| Boiling Point | 210.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 70 °C (2.5 mm Hg) |
| Density | 0.822-0.832 |
| Refractive Index | 1.410-1.420 |
13002-09-0; acetaldehyde diisoamyl acetal; 3-methyl-1-[1-(3-methylbutoxy)ethoxy]butane; Acetaldehyde di(3-methylbutyl) acetal; UNII-C34X3NFO1A; C34X3NFO1A; 1,1-Bis(isopentyloxy)ethane; 1,1'-(Ethylidenebis(oxy))bis(3-methylbutane); 1,1-Di-3-methylbutoxyethane; EINECS 235-839-3; FEMA NO. 4024; DTXSID80156296; ACETALDEHYDE, DIISOPENTYL ACETAL; ETHANE, 1,1-BIS(ISOPENTYLOXY)-; ACETALDEHYDE DIISOAMYL ACETAL [FHFI]; 1,1'-[ethylidenebis(oxy)]bis(3-methylbutane)
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: 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 |
|---|---|
| GHS notification summary | 100% (90 / 90) |
| GHS notification summary | 100% (90 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
Acetaldehyde diisoamyl acetal is identified by CAS 13002-09-0, molecular formula C12H26O2 and molecular weight 202.19 g/mol. UNII C34X3NFO1A; ChEBI 178467; InChIKey LXKCTPBHCJDSKC-UHFFFAOYSA-N. Boiling Point: 210.00 °C. @ 760.00 mm Hg; Boiling Point: 70 °C (2.5 mm Hg); Density: 0.822-0.832.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.