Allyl cyclohexylpropionate (CAS 2705-87-5) — formula C12H20O2, molecular weight 196.29; category organic chemicals.
| CAS Number | 2705-87-5 |
|---|---|
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.29 |
| Boiling Point | 91.00 °C. @ 1.00 mm Hg |
| LogP | 3.8 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Other, Consumer Uses: Fragrance, Household Products: Information on 120 consumer products that contain Allyl Cyclohexylpropionate in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, IFRA Fragrance Standards: Allyl 3-cyclohexylpropionate, Allyl 3-cyclohexylpropionate, 2-Propen-1-yl cyclohexanepropionate, Allyl 3-cyclohexylpropanoate, Allyl beta-cyclohexylpropionate, Allyl β-cyclohexylpropionate, Allyl cyclohexanepropionate, Allyl cyclohexylpropionate, Allyl hexahydrophenylpropionate, Cyclohexanepropionic acid, 2-propenyl ester, Prop-2-enyl 3-cyclohexylpropanoate, Cyclohexylpropionic acid allyl ester, IFRA_STD_238.pdf, 51, IFRA 51st Amendment - Guidance for the use of IFRA Standards, Restriction: This material should be used only in the limited quantity as stated in the Standard_Specification: This material should be used only if it meets the criteria stated in the Standard, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., According to the IFRA Specification Standard of Allyl esters, Allyl esters should only be used when the level of free Allylalcohol in the ester is less than 0.1%. This recommendation is based on the delayed irritant potential of Allylalcohol., Please also refer to the IFRA Specification Standard Allyl esters., Restriction Limits in the Finished Product (%): 0.085 [Products applied to the lips], 0.025 [Products applied to the axillae], 0.35 [Products applied to the face, body using fingertips], 0.47 [Products related to fine fragrances], 0.12 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.12 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.12 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.040 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.28 [Products with oral and lip exposure], 0.70 [Rinse-off products applied to the hair with some hand contact], 0.70 [Leave-on products applied to the hair with some hand contact], 0.040 [Products with significant anogenital exposure (tampon)], 0.92 [Products with body and hand exposure, primarily rinse off], 0.7 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.3 [Household care products with mostly hand contact (household aerosol, 0.040 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.040 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], No restriction [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 10, 000 - <25, 2020: 8, General Manufacturing Information: Plastics Material and Resin Manufacturing, All Other Chemical Product and Preparation Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Cyclohexanepropanoic acid, 2-propen-1-yl ester: 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, Other, Consumer Uses: Fragrance, Household Products: Information on 120 consumer products that contain Allyl Cyclohexylpropionate in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, IFRA Fragrance Standards: Allyl 3-cyclohexylpropionate, Allyl 3-cyclohexylpropionate, 2-Propen-1-yl cyclohexanepropionate, Allyl 3-cyclohexylpropanoate, Allyl beta-cyclohexylpropionate, Allyl β-cyclohexylpropionate, Allyl cyclohexanepropionate, Allyl cyclohexylpropionate, Allyl hexahydrophenylpropionate, Cyclohexanepropionic acid, 2-propenyl ester, Prop-2-enyl 3-cyclohexylpropanoate, Cyclohexylpropionic acid allyl ester, IFRA_STD_238.pdf, 51, IFRA 51st Amendment - Guidance for the use of IFRA Standards, Restriction: This material should be used only in the limited quantity as stated in the Standard_Specification: This material should be used only if it meets the criteria stated in the Standard, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., According to the IFRA Specification Standard of Allyl esters, Allyl esters should only be used when the level of free Allylalcohol in the ester is less than 0.1%. This recommendation is based on the delayed irritant potential of Allylalcohol., Please also refer to the IFRA Specification Standard Allyl esters., Restriction Limits in the Finished Product (%): 0.085 [Products applied to the lips], 0.025 [Products applied to the axillae], 0.35 [Products applied to the face, body using fingertips], 0.47 [Products related to fine fragrances], 0.12 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.12 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.12 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.040 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.28 [Products with oral and lip exposure], 0.70 [Rinse-off products applied to the hair with some hand contact], 0.70 [Leave-on products applied to the hair with some hand contact], 0.040 [Products with significant anogenital exposure (tampon)], 0.92 [Products with body and hand exposure, primarily rinse off], 0.7 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.3 [Household care products with mostly hand contact (household aerosol, 0.040 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.040 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], No restriction [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 10, 000 - <25, 2020: 8, General Manufacturing Information: Plastics Material and Resin Manufacturing, All Other Chemical Product and Preparation Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Cyclohexanepropanoic acid, 2-propen-1-yl ester: ACTIVE.
Allyl cyclohexylpropionate is a carbon-based organic compound with CAS registry number 2705-87-5 and molecular formula C12H20O2 (molecular weight 196.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2705-87-5
Its molecular formula C12H20O2 comprises 12 C, 20 H, 2 O atoms.
Also known as: Allyl cyclohexylpropionate · 菠萝酯 · Allyl 3-cyclohexylpropionate
Category: organic chemicals
The CAS registry number of Allyl cyclohexylpropionate is 2705-87-5.
Molecular formula C12H20O2, molecular weight 196.29.
It is also registered under: Allyl cyclohexylpropionate, 菠萝酯, Allyl 3-cyclohexylpropionate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Other, Consumer Uses: Fragrance, Household Products: Information on 120 consumer products that contain Allyl Cyclohexylpropionate in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, IFRA Fragrance Standards: Allyl 3-cyclohexylpropionate, Allyl 3-cyclohexylpropionate, 2-Propen-1-yl cyclohexanepropionate, Allyl 3-cyclohexylpropanoate, Allyl beta-cyclohexylpropionate, Allyl β-cyclohexylpropionate, Allyl cyclohexanepropionate, Allyl cyclohexylpropionate, Allyl hexahydrophenylpropionate, Cyclohexanepropionic acid, 2-propenyl ester, Prop-2-enyl 3-cyclohexylpropanoate, Cyclohexylpropionic acid allyl ester, IFRA_STD_238.pdf, 51, IFRA 51st Amendment - Guidance for the use of IFRA Standards, Restriction: This material should be used only in the limited quantity as stated in the Standard_Specification: This material should be used only if it meets the criteria stated in the Standard, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., According to the IFRA Specification Standard of Allyl esters, Allyl esters should only be used when the level of free Allylalcohol in the ester is less than 0.1%. This recommendation is based on the delayed irritant potential of Allylalcohol., Please also refer to the IFRA Specification Standard Allyl esters., Restriction Limits in the Finished Product (%): 0.085 [Products applied to the lips], 0.025 [Products applied to the axillae], 0.35 [Products applied to the face, body using fingertips], 0.47 [Products related to fine fragrances], 0.12 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.12 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.12 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.040 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.28 [Products with oral and lip exposure], 0.70 [Rinse-off products applied to the hair with some hand contact], 0.70 [Leave-on products applied to the hair with some hand contact], 0.040 [Products with significant anogenital exposure (tampon)], 0.92 [Products with body and hand exposure, primarily rinse off], 0.7 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.3 [Household care products with mostly hand contact (household aerosol, 0.040 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.040 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], No restriction [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 10, 000 - <25, 2020: 8, General Manufacturing Information: Plastics Material and Resin Manufacturing, All Other Chemical Product and Preparation Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Cyclohexanepropanoic acid, 2-propen-1-yl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for Allyl cyclohexylpropionate (CAS 2705-87-5), compiled from public chemistry databases.
| CAS Registry Number | 2705-87-5 |
|---|---|
| PubChem CID | 17617 |
| Molecular formula | C12H20O2 |
| Molecular weight | 196.15 g/mol |
| IUPAC name | prop-2-enyl 3-cyclohexylpropanoate |
| InChIKey | TWXUTZNBHUWMKJ-UHFFFAOYSA-N |
| UNII (FDA) | H4W9H3L241 |
| ChEBI ID | CHEBI:31188 |
| FEMA number | 2026 |
| JECFA number | 13 |
| Molecular Weight | 196.29 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 196.146329876 |
| Monoisotopic Mass | 196.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 91.00 °C. @ 1.00 mm Hg |
|---|---|
| Boiling Point | 91 °C (1mm Hg) |
| Density | 0.945-0.950 |
| Refractive Index | 1.457-1.462 |
2705-87-5; Allyl cyclohexanepropionate; Allyl cyclohexylpropionate; Cyclohexanepropanoic acid, 2-propenyl ester; Allyl 3-cyclohexylpropionate; 3-Allylcyclohexyl propionate; Prop-2-en-1-yl 3-cyclohexylpropanoate; Allyl hexahydrophenylpropionate; prop-2-enyl 3-cyclohexylpropanoate; Allyl beta-cyclohexylpropionate; FEMA No. 2026; 2-Propenyl cyclohexanepropanoate; CYCLOHEXANEPROPIONIC ACID, ALLYL ESTER; Cyclohexanol, 3-allyl-, propionate; 2-Propen-1-yl cyclohexanepropionate; EINECS 220-292-5
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Pineapple No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (99.9%), H312 (98%), H315 (13%), H317 (83%), H332 (84%), H400 (81.9%), H410 (83.2%), H301 |
|---|
H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (98%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Allyl 3-cyclohexylpropionate is identified by CAS 2705-87-5, molecular formula C12H20O2 and molecular weight 196.15 g/mol. UNII H4W9H3L241; ChEBI 31188; InChIKey TWXUTZNBHUWMKJ-UHFFFAOYSA-N. Boiling Point: 91.00 °C. @ 1.00 mm Hg; Boiling Point: 91 °C (1mm Hg); Density: 0.945-0.950.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 菠萝酯