Undecylenic aldehyde (CAS 112-45-8) — formula C11H20O, molecular weight 168.28; 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 30 consumer products that contain Undecylenal in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 8, 2020: 8, General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, 10-Undecenal: ACTIVE.
Undecylenic aldehyde is a carbon-based organic compound with CAS registry number 112-45-8 and molecular formula C11H20O (molecular weight 168.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 112-45-8
Its molecular formula C11H20O comprises 11 C, 20 H, 1 O atoms.
Also known as: Undecylenic aldehyde · Aldehyde C-11 Undecylenic · 10-Undecenal
Category: organic chemicals
The CAS registry number of Undecylenic aldehyde is 112-45-8.
Molecular formula C11H20O, molecular weight 168.28.
It is also registered under: Undecylenic aldehyde, Aldehyde C-11 Undecylenic, 10-Undecenal.
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 30 consumer products that contain Undecylenal in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 8, 2020: 8, General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, 10-Undecenal: ACTIVE.
Category: Organic Chemicals.
Public-database records for Undecylenic aldehyde (CAS 112-45-8), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (97.2%), H317 (82.9%), H319 (81.6%), H411 (13.1%), H412 (79%), H227 |
|---|
H315 (97.2%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (82.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit Not considered |
|---|
| 沸点 | 98.00 to 100.00 °C. @ 3.00 mm Hg |
|---|---|
| 沸点 | 235 °C |
| 溶解度 | 30 mg/L @ 20 °C (exp) |
| 密度 | 0.840-0.850 |
| 折射率 | 1.441-1.447 |
| CAS Registry Number | 112-45-8 |
|---|---|
| PubChem CID | 8187 |
| 分子式 | C11H20O |
| 分子量 | 168.15 g/mol |
| IUPAC 名称 | undec-10-enal |
| InChIKey | OFHHDSQXFXLTKC-UHFFFAOYSA-N |
| UNII（FDA） | DU1OTA08RY |
| ChEBI 编号 | CHEBI:125536 |
| FEMA 编号 | 3095 |
| JECFA 编号 | 330 |
10-Undecenal; Undec-10-enal; 112-45-8; Undecylenic aldehyde; Hendecenal; Undecylenaldehyde; 1-Undecen-10-al; 10-Undecylenealdehyde; 10-Hendecenal; C-11 aldehyde, undecylenic; undecylenal; Aldehyde C-11, undecylenic; FEMA No. 3095; EINECS 203-973-1; NSC 44900; BRN 1746480
| 分子量 | 168.28 |
|---|---|
| XLogP3 | 3.8 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 9 |
| 精确质量 | 168.151415257 |
| 单同位素质量 | 168.151415257 |
| 拓扑极性表面积 | 17.1 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
10-Undecenal is identified by CAS 112-45-8, molecular formula C11H20O and molecular weight 168.15 g/mol. UNII DU1OTA08RY; ChEBI 125536; InChIKey OFHHDSQXFXLTKC-UHFFFAOYSA-N. 沸点: 98.00 to 100.00 °C. @ 3.00 mm Hg; 沸点: 235 °C; 溶解度: 30 mg/L @ 20 °C (exp).
Source: PubChem / Wikidata; the batch COA governs where values differ.
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