Allyl Hexanoate (CAS 123-68-2) — formula C9H16O2, molecular weight 156.22.
| CAS Number | 123-68-2 |
|---|---|
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.22 |
| Boiling Point | 185.00 °C. @ 760.00 mm Hg |
| LogP | 2.7 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Emollient, Industry Uses: Fragrance, Consumer Uses: Fragrance, Household Products: Information on 89 consumer products that contain Allyl Caproate in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, 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, Hexanoic acid, 2-propen-1-yl ester: ACTIVE |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Emollient, Industry Uses: Fragrance, Consumer Uses: Fragrance, Household Products: Information on 89 consumer products that contain Allyl Caproate in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, 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, Hexanoic acid, 2-propen-1-yl ester: ACTIVE.
Allyl Hexanoate is a chemical compound with CAS registry number 123-68-2 and molecular formula C9H16O2 (molecular weight 156.22).
CAS number: 123-68-2
Its molecular formula C9H16O2 comprises 9 C, 16 H, 2 O atoms.
Also known as: Allyl Hexanoate · 己酸烯丙酯
The CAS registry number of Allyl Hexanoate is 123-68-2.
Molecular formula C9H16O2, molecular weight 156.22.
It is also registered under: Allyl Hexanoate, 己酸烯丙酯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Emollient, Industry Uses: Fragrance, Consumer Uses: Fragrance, Household Products: Information on 89 consumer products that contain Allyl Caproate in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, 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, Hexanoic acid, 2-propen-1-yl ester: ACTIVE.
Independent reference data for Allyl Hexanoate (CAS 123-68-2), compiled from public chemistry databases.
| CAS Registry Number | 123-68-2 |
|---|---|
| PubChem CID | 31266 |
| Molecular formula | C9H16O2 |
| IUPAC name | prop-2-enyl hexanoate |
| UNII (FDA) | 3VH84A363D |
| FEMA number | 2032 |
| JECFA number | 3 |
| Molecular Weight | 156.22 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 156.115029749 |
| Monoisotopic Mass | 156.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 185.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 185 °C |
| Density | 0.884-0.890 |
| Refractive Index | 1.422-1.426 |
Allyl hexanoate; 123-68-2; Allyl caproate; Hexanoic acid, allyl ester; prop-2-enyl hexanoate; FEMA No. 2032; 3VH84A363D; NSC-20962; DTXSID1047653; RefChem:110871; DTXCID9027653; 204-642-4; Hexanoic acid, 2-propenyl ester; 2-PROPENYL HEXANOATE; 2-Propenyl n-hexanoate; Hexanoic acid, 2-propen-1-yl ester
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Pineapple JECFA ADI: 0-0.13 mg/kg bw (1990) |
|---|
| Reported hazard statements | H301 (94.9%), H311 (97.2%), H315 (13.3%), H319 (10.3%), H331 (76.4%), H400 (80.2%), H410 (11.8%), H411 (14%) |
|---|
H301 (94.9%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (97.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]
Allyl Hexanoate · CAS 123-68-2 · C9H16O2. UNII 3VH84A363D. Boiling Point: 185.00 °C. @ 760.00 mm Hg; Boiling Point: 185 °C; Density: 0.884-0.890.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 己酸烯丙酯