AMBRETTOLIDE (CAS 123-69-3) — formula C16H28O2, molecular weight 252.21 g/mol; category organic chemicals.
| CAS Number | 123-69-3 |
|---|---|
| Molecular Formula | C16H28O2 |
| Molecular Weight | 252.21 g/mol |
| Boiling Point | 398.00 to 399.00 °C. @ 760.00 mm Hg |
| LogP | 5.5 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Oxacycloheptadec-8-en-2-one, (8Z)-: INACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Oxacycloheptadec-8-en-2-one, (8Z)-: INACTIVE.
AMBRETTOLIDE is a carbon-based organic compound with CAS registry number 123-69-3 and molecular formula C16H28O2 (molecular weight 252.21 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 123-69-3
Its molecular formula C16H28O2 comprises 16 C, 28 H, 2 O atoms.
Also known as: AMBRETTOLIDE · 黄葵内酯
Category: organic chemicals
The CAS registry number of AMBRETTOLIDE is 123-69-3.
Molecular formula C16H28O2, molecular weight 252.21 g/mol.
It is also registered under: AMBRETTOLIDE, 黄葵内酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Oxacycloheptadec-8-en-2-one, (8Z)-: INACTIVE.
Category: Organic Chemicals.
Independent reference data for AMBRETTOLIDE (CAS 123-69-3), compiled from public chemistry databases.
| CAS Registry Number | 123-69-3 |
|---|---|
| PubChem CID | 5365703 |
| Molecular formula | C16H28O2 |
| Molecular weight | 252.21 g/mol |
| IUPAC name | (8Z)-1-oxacycloheptadec-8-en-2-one |
| InChIKey | NVIPUOMWGQAOIT-RQOWECAXSA-N |
| UNII (FDA) | 095I377U8F |
| ChEBI ID | CHEBI:189999 |
| Molecular Weight | 252.39 |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 252.208930132 |
| Monoisotopic Mass | 252.208930132 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 18 |
| Boiling Point | 398.00 to 399.00 °C. @ 760.00 mm Hg |
|---|
Ambrettolide; Ambrettolid; 123-69-3; Natural musk ambrette; Musk; (Z)-Oxacycloheptadec-8-en-2-one; Oxacycloheptadec-8-en-2-one, (8Z)-; 16-Hydroxy-7-hexadecenoic acid lactone; OXACYCLOHEPTADEC-8-EN-2-ONE, (Z)-; 095I377U8F; RefChem:857007; DTXCID00809959; 16-hydroxy-7-hexadecenoic acid, omicron-lactone; 204-644-5; DTXSID6040799; (8Z)-1-oxacycloheptadec-8-en-2-one
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 884-JECFA 49/42 FAS 40-JECFA 49/231 |
|---|---|
| GHS notification summary | 19% (28 / 147) |
| GHS notification summary | 19% (28 / 147) |
|---|---|
| Reported hazard statements | H315 (73.5%), H319 (73.5%), H335 (73.5%) |
This chemical does not meet GHS hazard criteria for 19% (28 of 147) of reports.
H315 (73.5%): Causes skin irritation [Warning Skin corrosion/irritation]
AMBRETTOLIDE is identified by CAS 123-69-3, molecular formula C16H28O2 and molecular weight 252.21 g/mol. UNII 095I377U8F; ChEBI 189999; InChIKey NVIPUOMWGQAOIT-RQOWECAXSA-N. Boiling Point: 398.00 to 399.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 黄葵内酯