Isovaleraldehyde diethyl acetal (CAS 3842-03-3) — formula C9H20O2, molecular weight 160.15 g/mol.
| CAS Number | 3842-03-3 |
|---|---|
| Molecular Formula | C9H20O2 |
| Molecular Weight | 160.15 g/mol |
| Boiling Point | 159-162 °C |
| LogP | 2.5 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Butane, 1, 1-diethoxy-3-methyl-: ACTIVE |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Butane, 1, 1-diethoxy-3-methyl-: ACTIVE.
Isovaleraldehyde diethyl acetal is a chemical compound with CAS registry number 3842-03-3 and molecular formula C9H20O2 (molecular weight 160.15 g/mol).
CAS number: 3842-03-3
Its molecular formula C9H20O2 comprises 9 C, 20 H, 2 O atoms.
Also known as: Isovaleraldehyde diethyl acetal · 1,1-二乙氧基-3-甲基丁烷
The CAS registry number of Isovaleraldehyde diethyl acetal is 3842-03-3.
Molecular formula C9H20O2, molecular weight 160.15 g/mol.
It is also registered under: Isovaleraldehyde diethyl acetal, 1,1-二乙氧基-3-甲基丁烷.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Butane, 1, 1-diethoxy-3-methyl-: ACTIVE.
Independent reference data for Isovaleraldehyde diethyl acetal (CAS 3842-03-3), compiled from public chemistry databases.
| CAS Registry Number | 3842-03-3 |
|---|---|
| PubChem CID | 19695 |
| Molecular formula | C9H20O2 |
| Molecular weight | 160.15 g/mol |
| IUPAC name | 1,1-diethoxy-3-methylbutane |
| InChIKey | DDGBOLJFAMEBOE-UHFFFAOYSA-N |
| UNII (FDA) | SD2G66V598 |
| ChEBI ID | CHEBI:190132 |
| FEMA number | 4371 |
| JECFA number | 1730 |
| Molecular Weight | 160.25 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 160.146329876 |
| Monoisotopic Mass | 160.146329876 |
| Topological Polar Surface Area | 18.5 |
| Heavy Atom Count | 11 |
| Boiling Point | 159-162 °C |
|---|---|
| Density | 0.825-0.832 |
| Refractive Index | 1.395-1.403 |
1,1-DIETHOXY-3-METHYLBUTANE; Butane, 1,1-diethoxy-3-methyl-; isovaleraldehyde diethyl acetal; SD2G66V598; isopentanal diethyl acetal; EINECS 223-335-6; UNII-SD2G66V598; 1,1-DIETHOXYISOPENTANE; DTXSID8063208; FEMA NO. 4371; 3-METHYLBUTYRALDEHYDE DIETHYL ACETAL; RefChem:150099; DTXCID4039493; 709364; DDGBOLJFAMEBOE-UHFFFAOYSA-N; 3842-03-3
| 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 | 0.8% (11 / 1376) |
| GHS notification summary | 0.8% (11 / 1376) |
|---|---|
| Reported hazard statements | H226 (99.2%) |
This chemical does not meet GHS hazard criteria for 0.8% (11 of 1376) of reports.
H226 (99.2%): Flammable liquid and vapor [Warning Flammable liquids]
Isovaleraldehyde diethyl acetal is identified by CAS 3842-03-3, molecular formula C9H20O2 and molecular weight 160.15 g/mol. UNII SD2G66V598; ChEBI 190132; InChIKey DDGBOLJFAMEBOE-UHFFFAOYSA-N. Boiling Point: 159-162 °C; Density: 0.825-0.832; Refractive Index: 1.395-1.403.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,1-二乙氧基-3-甲基丁烷