(1S-endo)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate (CAS 85717-26-6) — formula C15H26O2, molecular weight 238.37; category organic chemicals.
| CAS Number | 85717-26-6 |
|---|---|
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 |
| Boiling Point | 136-137 °C (12 mm Hg) |
| LogP | 4.7 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
(1S-endo)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate is a carbon-based organic compound with CAS registry number 85717-26-6 and molecular formula C15H26O2 (molecular weight 238.37), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85717-26-6
Its molecular formula C15H26O2 comprises 15 C, 26 H, 2 O atoms.
Also known as: (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate · (1S-内)-1,7,7-三甲基双环[2.2.1]庚-2-基戊酸酯
Category: organic chemicals
The CAS registry number of (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate is 85717-26-6.
Molecular formula C15H26O2, molecular weight 238.37.
It is also registered under: (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate, (1S-内)-1,7,7-三甲基双环[2.2.1]庚-2-基戊酸酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Category: Organic Chemicals.
Independent reference data for (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate (CAS 85717-26-6), compiled from public chemistry databases.
| CAS 号 | 85717-26-6 |
|---|---|
| PubChem CID | 16220080 |
| 分子式 | C15H26O2 |
| IUPAC 名称 | [(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] pentanoate |
| UNII（FDA） | 36MH4I3Q90 |
| FEMA 编号 | 2164 |
| JECFA 编号 | 1392 |
| Molecular Weight | 238.37 |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 238.193280068 |
| Monoisotopic Mass | 238.193280068 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 17 |
| Boiling Point | 136-137 °C (12 mm Hg) |
|---|---|
| Density | 0.957-0.963 |
| Refractive Index | 1.459-1.465 |
BORNYL VALERATE; Bornyl pentanoate; 2-Bornyl valerate; FEMA No. 2164; Valeric acid, 2-bornyl ester, endo-; 2-Camphanyl valerate, endo-; 36MH4I3Q90; BORNYL N-VALERATE; EINECS 231-435-6; BORNYL N-PENTANOATE; BORNYL VALERATE [FHFI]; 1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl pentanoate, endo-; 1,7,7-TRIMETHYL-BICYCLO(2.2.1)HEPT-2-YL PENTANOATE; (1,7,7-trimethyl-2-bicyclo(2.2.1)heptanyl) pentanoate; (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) pentanoate; RefChem:570027
| 法规与食品接触 | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Spice No safety concern at current levels of intake when used as a flavouring agent TRS 928-JECFA 63/86 |
|---|
(1S-内)-1,7,7-三甲基双环[2.2.1]庚-2-基戊酸酯 · CAS 85717-26-6 · C15H26O2. UNII 36MH4I3Q90. Boiling Point: 136-137 °C (12 mm Hg); Density: 0.957-0.963; Refractive Index: 1.459-1.465.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.