Rotundone (CAS 14765-30-1) — formula C10H18O, molecular weight 154.25; category organic chemicals.
| CAS Number | 14765-30-1 |
|---|---|
| Molecular Formula | C10H18O |
| Molecular Weight | 154.25 |
| Boiling Point | 76.00 to 78.00 °C. @ 8.00 mm Hg |
| LogP | 2.8 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Consumer Uses: Fragrance, Household Products: Information on 16 consumer products that contain 2-sec-Butylcyclohexan-1-one in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, U.S. Production: 2023: 8, 519, 952 lb, 2022: 8, 835, 808 lb, 2021: 9, 065, 113 lb, 2020: 9, 674, 992 lb, General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Cyclohexanone, 2-(1-methylpropyl)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Consumer Uses: Fragrance, Household Products: Information on 16 consumer products that contain 2-sec-Butylcyclohexan-1-one in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, U.S. Production: 2023: 8, 519, 952 lb, 2022: 8, 835, 808 lb, 2021: 9, 065, 113 lb, 2020: 9, 674, 992 lb, General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Cyclohexanone, 2-(1-methylpropyl)-: ACTIVE.
Rotundone is a carbon-based organic compound with CAS registry number 14765-30-1 and molecular formula C10H18O (molecular weight 154.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 14765-30-1
Its molecular formula C10H18O comprises 10 C, 18 H, 1 O atoms.
Also known as: Rotundone · 鲜薄荷酮
Category: organic chemicals
The CAS registry number of Rotundone is 14765-30-1.
Molecular formula C10H18O, molecular weight 154.25.
It is also registered under: Rotundone, 鲜薄荷酮.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Consumer Uses: Fragrance, Household Products: Information on 16 consumer products that contain 2-sec-Butylcyclohexan-1-one in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, U.S. Production: 2023: 8, 519, 952 lb, 2022: 8, 835, 808 lb, 2021: 9, 065, 113 lb, 2020: 9, 674, 992 lb, General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Cyclohexanone, 2-(1-methylpropyl)-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for Rotundone (CAS 14765-30-1), compiled from public chemistry databases.
| CAS Registry Number | 14765-30-1 |
|---|---|
| PubChem CID | 61771 |
| Molecular formula | C10H18O |
| Molecular weight | 154.14 g/mol |
| IUPAC name | 2-butan-2-ylcyclohexan-1-one |
| InChIKey | RQXTZKGDMNIWJF-UHFFFAOYSA-N |
| UNII (FDA) | 5WA6R1KL5J |
| FEMA number | 3261 |
| JECFA number | 1109 |
| Molecular Weight | 154.25 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 154.135765193 |
| Monoisotopic Mass | 154.135765193 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 11 |
| Boiling Point | 76.00 to 78.00 °C. @ 8.00 mm Hg |
|---|---|
| Boiling Point | 76-78 °C |
| Solubility | 566 mg/L @ 20 °C (exp) |
| Density | 0.911-0.917 |
| Refractive Index | 1.454-1.461 |
2-sec-Butylcyclohexanone; 14765-30-1; 2-(sec-Butyl)cyclohexanone; 2-(1-Methylpropyl)cyclohexanone; 2-sec-Butylcyclohexan-1-one; Cyclohexanone, 2-(1-methylpropyl)-; Cyclohexanone, 2-sec-butyl-; 2-sec-butyl cyclohexanone; Freskomenthe; 2-(butan-2-yl)cyclohexan-1-one; FEMA No. 3261; Butylcyclohexanone, O-sec-; DTXSID4041818; EINECS 238-830-2; 5WA6R1KL5J; NSC 21146
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Mint, Cool No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 96% (1531 / 1595) |
| GHS notification summary | 96% (1531 / 1595) |
|---|
This chemical does not meet GHS hazard criteria for 96% (1531 of 1595) of all reports.
Reported as not meeting GHS hazard criteria by 1531 of 1595 companies (only 4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
2-SEC-BUTYLCYCLOHEXANONE is identified by CAS 14765-30-1, molecular formula C10H18O and molecular weight 154.14 g/mol. UNII 5WA6R1KL5J; InChIKey RQXTZKGDMNIWJF-UHFFFAOYSA-N. Boiling Point: 76.00 to 78.00 °C. @ 8.00 mm Hg; Boiling Point: 76-78 °C; Solubility: 566 mg/L @ 20 °C (exp).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 鲜薄荷酮