N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide (CAS 745047-51-2) — formula C15H21NO3, molecular weight 263.15 g/mol.
| CAS Number | 745047-51-2 |
|---|---|
| Molecular Formula | C15H21NO3 |
| Molecular Weight | 263.15 g/mol |
| Melting Point | 116.00 °C. @ 760.00 mm Hg |
| LogP | 3.4 |
| Applications | Use Classification: Flavoring Agents -> JECFA Flavorings Index |
Documented applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index.
N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide is a chemical compound with CAS registry number 745047-51-2 and molecular formula C15H21NO3 (molecular weight 263.15 g/mol).
CAS number: 745047-51-2
Its molecular formula C15H21NO3 comprises 15 C, 21 H, 1 N, 3 O atoms.
Also known as: N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide · N-(庚烷-4-基)苯并[d][1,3]二氧杂环戊烷-5-甲酰胺
The CAS registry number of N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide is 745047-51-2.
Molecular formula C15H21NO3, molecular weight 263.15 g/mol.
It is also registered under: N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide, N-(庚烷-4-基)苯并[d][1,3]二氧杂环戊烷-5-甲酰胺.
Recorded applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index.
Independent reference data for N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide (CAS 745047-51-2), compiled from public chemistry databases.
| CAS Registry Number | 745047-51-2 |
|---|---|
| PubChem CID | 22831877 |
| Molecular formula | C15H21NO3 |
| Molecular weight | 263.15 g/mol |
| IUPAC name | N-heptan-4-yl-1,3-benzodioxole-5-carboxamide |
| InChIKey | YOBNUUGTIXQSPD-UHFFFAOYSA-N |
| UNII (FDA) | 4E1875N4ZT |
| ChEBI ID | CHEBI:173870 |
| FEMA number | 4232 |
| JECFA number | 1767 |
| Molecular Weight | 263.33 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 263.15214353 |
| Monoisotopic Mass | 263.15214353 |
| Topological Polar Surface Area | 47.6 |
| Heavy Atom Count | 19 |
| Melting Point | 116.00 °C. @ 760.00 mm Hg |
|---|
745047-51-2; N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide; N-(1-Propylbutyl)-1,3-benzodioxole-5-carboxamide; N-(HEPTAN-4-YL)BENZO(D)(1,3)DIOXOLE-5-CARBOXAMIDE; FEMA No. 4232; 1,3-Benzodioxole-5-carboxamide, N-(1-propylbutyl)-; UNII-4E1875N4ZT; 4E1875N4ZT; N-(HEPTAN-4-YL)-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDE; DTXSID90225503; N-(Heptan-4-yl)benzo(d)(1,3)dioxole-5-carboxamide [FIFH]; N-(HEPTAN-4-YL)BENZO(D)(1,3)DIOXOLE-5-CARBOXAMIDE [FHFI]; N-(Heptan-4-yl)benzo(d)(1,3)dioxole-5-carboxamide (FIFH); RefChem:161477; DTXCID50147994; 1,3-Benzodioxole-5-carboxamide,N-(1-propylbutyl)-
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Savory, Umami |
|---|---|
| GHS notification summary | 50% (1 / 2) |
| GHS notification summary | 50% (1 / 2) |
|---|---|
| Reported hazard statements | H302 (50%), H312 (50%), H315 (50%), H319 (50%), H332 (50%), H335 (50%) |
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide is identified by CAS 745047-51-2, molecular formula C15H21NO3 and molecular weight 263.15 g/mol. UNII 4E1875N4ZT; ChEBI 173870; InChIKey YOBNUUGTIXQSPD-UHFFFAOYSA-N. Melting Point: 116.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.