Isobornyl isobutyrate (CAS 85586-67-0) — formula C14H24O2, molecular weight 224.18 g/mol; category organic chemicals.
| CAS Number | 85586-67-0 |
|---|---|
| Molecular Formula | C14H24O2 |
| Molecular Weight | 224.18 g/mol |
| Boiling Point | 131-133 °C (19 mm Hg) |
| LogP | 4.3 |
| Category | Organic Chemicals |
Isobornyl isobutyrate is a carbon-based organic compound with CAS registry number 85586-67-0 and molecular formula C14H24O2 (molecular weight 224.18 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85586-67-0
Its molecular formula C14H24O2 comprises 14 C, 24 H, 2 O atoms.
Also known as: Isobornyl isobutyrate · 异丁酸异龙脑酯
Category: organic chemicals
The CAS registry number of Isobornyl isobutyrate is 85586-67-0.
Molecular formula C14H24O2, molecular weight 224.18 g/mol.
It is also registered under: Isobornyl isobutyrate, 异丁酸异龙脑酯.
Category: Organic Chemicals.
Independent reference data for Isobornyl isobutyrate (CAS 85586-67-0), compiled from public chemistry databases.
| CAS Registry Number | 85586-67-0 |
|---|---|
| PubChem CID | 174490 |
| Molecular formula | C14H24O2 |
| Molecular weight | 224.18 g/mol |
| IUPAC name | [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate |
| InChIKey | KRKIAJBQOUBNSE-GYSYKLTISA-N |
| UNII (FDA) | 0HWY1Q2V54 |
| ChEBI ID | CHEBI:171770 |
| FEMA number | 4146 |
| JECFA number | 1863 |
| Molecular Weight | 224.34 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 224.177630004 |
| Monoisotopic Mass | 224.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Boiling Point | 131-133 °C (19 mm Hg) |
|---|---|
| Density | 0.958-0.964 |
| Refractive Index | 1.460-1.466 |
Isobornyl isobutyrate; 85586-67-0; EINECS 287-872-8; 0HWY1Q2V54; Propanoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-; exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate; FEMA NO. 4146; DTXSID40888667; Propanoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel-; Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate; PROPANOIC ACID, 2-METHYL-, 1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL ESTER, EXO-; Propanoic acid, 2-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-; RefChem:791574; DTXCID501027943; (+-)-ISOBORNYL ISOBUTYRATE; ISOBORNYL ISOBUTYRATE, (+-)-
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Spice No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (1410 / 1410) |
| GHS notification summary | 100% (1410 / 1410) |
|---|
This chemical does not meet GHS hazard criteria for 100% (1410 of 1410) of all reports.
Reported as not meeting GHS hazard criteria by 1410 of 1410 companies. For more detailed information, please visit ECHA C&L website.
Isobornyl isobutyrate is identified by CAS 85586-67-0, molecular formula C14H24O2 and molecular weight 224.18 g/mol. UNII 0HWY1Q2V54; ChEBI 171770; InChIKey KRKIAJBQOUBNSE-GYSYKLTISA-N. Boiling Point: 131-133 °C (19 mm Hg); Density: 0.958-0.964; Refractive Index: 1.460-1.466.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异丁酸异龙脑酯