acetyl vanillin (CAS 881-68-5) — formula C10H10O4, molecular weight 194.18; category food flavors.
| CAS Number | 881-68-5 |
|---|---|
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.18 |
| Melting Point | 77 - 79 °C |
| Boiling Point | 287.00 to 288.00 °C. @ 760.00 mm Hg |
| LogP | 0.8 |
| 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: Benzaldehyde, 4-(acetyloxy)-3-methoxy-: ACTIVE |
| Category | Flavors & Fragrances |
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: Benzaldehyde, 4-(acetyloxy)-3-methoxy-: ACTIVE.
acetyl vanillin is a flavoring compound with CAS registry number 881-68-5 and molecular formula C10H10O4 (molecular weight 194.18), belonging to the food flavors segment of chemical raw materials.
CAS number: 881-68-5
Its molecular formula C10H10O4 comprises 10 C, 10 H, 4 O atoms.
Also known as: acetyl vanillin · 乙酰香兰素 · Vanillin acetate
Category: food flavors
The CAS registry number of acetyl vanillin is 881-68-5.
Molecular formula C10H10O4, molecular weight 194.18.
It is also registered under: acetyl vanillin, 乙酰香兰素, Vanillin acetate.
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: Benzaldehyde, 4-(acetyloxy)-3-methoxy-: ACTIVE.
Category: Flavors & Fragrances.
Independent reference data for acetyl vanillin (CAS 881-68-5), compiled from public chemistry databases.
| CAS Registry Number | 881-68-5 |
|---|---|
| PubChem CID | 61229 |
| Molecular formula | C10H10O4 |
| Molecular weight | 194.06 g/mol |
| IUPAC name | (4-formyl-2-methoxyphenyl) acetate |
| InChIKey | PZSJOBKRSVRODF-UHFFFAOYSA-N |
| UNII (FDA) | 873YNA60FY |
| ChEBI ID | CHEBI:86956 |
| FEMA number | 3108 |
| JECFA number | 890 |
| Molecular Weight | 194.18 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 194.05790880 |
| Monoisotopic Mass | 194.05790880 |
| Topological Polar Surface Area | 52.6 |
| Heavy Atom Count | 14 |
| Boiling Point | 287.00 to 288.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 148 °C (10 mm Hg) |
| Melting Point | 77 - 79 °C |
Vanillin acetate; 4-Formyl-2-methoxyphenyl acetate; Acetylvanillin; Acetovanillin; BENZALDEHYDE, 4-(ACETYLOXY)-3-METHOXY-; vanillyl acetate; FEMA No. 3108; UNII-873YNA60FY; 873YNA60FY; Benzaldehyde, 4-acetoxy-3-methoxy; NSC-8499; EINECS 212-920-1; NSC-25863; VANILLIN ACETATE [FHFI]; DTXSID4061256; CHEBI:86956
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 60.4% (90 / 149) |
| GHS notification summary | 60.4% (90 / 149) |
|---|---|
| Reported hazard statements | H315 (39.6%), H319 (39.6%) |
This chemical does not meet GHS hazard criteria for 60.4% (90 of 149) of all reports.
H315 (39.6%): Causes skin irritation [Warning Skin corrosion/irritation]
Vanillin acetate is identified by CAS 881-68-5, molecular formula C10H10O4 and molecular weight 194.06 g/mol. UNII 873YNA60FY; ChEBI 86956; InChIKey PZSJOBKRSVRODF-UHFFFAOYSA-N. Boiling Point: 287.00 to 288.00 °C. @ 760.00 mm Hg; Boiling Point: 148 °C (10 mm Hg); Melting Point: 77 - 79 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酰香兰素