2-辛烯-4-一（CAS 22286-99-3）：分子式 C8H14O、分子量 126.20。
| CAS号 | 22286-99-3 |
|---|---|
| 分子式 | C8H14O |
| 分子量 | 126.20 |
| 沸点 | 81 °C (20-21 mm Hg) |
| LogP | 2.1 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、IFRA Fragrance Standards: 2-Octen-4-one、2-Octen-4-one、Butyl propenyl ketone、Oct-2-en-4-one、Propenyl butyl ketone、Strawbinone (commercial name)、IFRA_STD_229.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、DERMAL SENSITIZATION、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.、Restriction Limits in the Finished Product (%): 0.0085 [Products applied to the lips]、0.0025 [Products applied to the axillae]、0.051 [Products applied to the face、body using fingertips]、0.047 [Products related to fine fragrances]、0.012 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.012 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.012 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.012 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.028 [Products with oral and lip exposure]、0.096 [Rinse-off products applied to the hair with some hand contact]、0.096 [Leave-on products applied to the hair with some hand contact]、0.0050 [Products with significant anogenital exposure (tampon)]、0.092 [Products with body and hand exposure、primarily rinse off]、0.33 [Household care products with mostly hand contact (excluding aerosol、spray products)]、0.33 [Household care products with mostly hand contact (household aerosol、0.18 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、0.18 [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]、General Manufacturing Information: 2-Octen-4-one: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、IFRA Fragrance Standards: 2-Octen-4-one、2-Octen-4-one、Butyl propenyl ketone、Oct-2-en-4-one、Propenyl butyl ketone、Strawbinone (commercial name)、IFRA_STD_229.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、DERMAL SENSITIZATION、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.、Restriction Limits in the Finished Product (%): 0.0085 [Products applied to the lips]、0.0025 [Products applied to the axillae]、0.051 [Products applied to the face、body using fingertips]、0.047 [Products related to fine fragrances]、0.012 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.012 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.012 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.012 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.028 [Products with oral and lip exposure]、0.096 [Rinse-off products applied to the hair with some hand contact]、0.096 [Leave-on products applied to the hair with some hand contact]、0.0050 [Products with significant anogenital exposure (tampon)]、0.092 [Products with body and hand exposure、primarily rinse off]、0.33 [Household care products with mostly hand contact (excluding aerosol、spray products)]、0.33 [Household care products with mostly hand contact (household aerosol、0.18 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、0.18 [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]、General Manufacturing Information: 2-Octen-4-one: ACTIVE。
2-辛烯-4-一 是一种化工化合物，登记 CAS 号为 22286-99-3，分子式 C8H14O（分子量 126.20）。
登记 CAS 号：22286-99-3
其分子式 C8H14O 由 8 个碳、14 个氢、1 个氧 组成。
别名/同义词：2-辛烯-4-一 · 2-OCTEN-4-ONE
2-辛烯-4-一 的 CAS 登记号为 22286-99-3。
分子式 C8H14O，分子量 126.20。
别名/同义词：2-辛烯-4-一、2-OCTEN-4-ONE。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、IFRA Fragrance Standards: 2-Octen-4-one、2-Octen-4-one、Butyl propenyl ketone、Oct-2-en-4-one、Propenyl butyl ketone、Strawbinone (commercial name)、IFRA_STD_229.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、DERMAL SENSITIZATION、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.、Restriction Limits in the Finished Product (%): 0.0085 [Products applied to the lips]、0.0025 [Products applied to the axillae]、0.051 [Products applied to the face、body using fingertips]、0.047 [Products related to fine fragrances]、0.012 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.012 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.012 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.012 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.028 [Products with oral and lip exposure]、0.096 [Rinse-off products applied to the hair with some hand contact]、0.096 [Leave-on products applied to the hair with some hand contact]、0.0050 [Products with significant anogenital exposure (tampon)]、0.092 [Products with body and hand exposure、primarily rinse off]、0.33 [Household care products with mostly hand contact (excluding aerosol、spray products)]、0.33 [Household care products with mostly hand contact (household aerosol、0.18 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、0.18 [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]、General Manufacturing Information: 2-Octen-4-one: ACTIVE。
2-辛烯-4-一（CAS 22286-99-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 22286-99-3 |
|---|---|
| PubChem CID | 5365891 |
| Molecular formula | C8H14O |
| Molecular weight | 126.10 g/mol |
| IUPAC name | (E)-oct-2-en-4-one |
| InChIKey | FMDLEUPBHMCPQV-GQCTYLIASA-N |
| UNII (FDA) | C9NB51LMXT |
| ChEBI ID | CHEBI:172018 |
| FEMA number | 3603 |
| JECFA number | 1129 |
| Molecular Weight | 126.20 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 126.104465066 |
| Monoisotopic Mass | 126.104465066 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 81 °C (20-21 mm Hg) |
|---|---|
| Density | 0.835-0.842 |
| Refractive Index | 1.440-1.446 |
2-Octen-4-one; Propenyl butyl ketone; Butyl propenyl ketone; FEMA No. 3603; 2-Octen-4-one (natural); trans-2-Octen-4-one; (E)-2-Octen-4-one; EINECS 225-071-7; 2-Octen-4-one, (E)-; 2-Octen-4-one, (2E)-; UNII-C9NB51LMXT; C9NB51LMXT; 22286-99-3; BUTYL 1-PROPENYL KETONE; DTXCID1027134; 2-OCTEN-4-ONE [FHFI]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 6.1% (90 / 1480) |
| GHS notification summary | 6.1% (90 / 1480) |
|---|---|
| Reported hazard statements | H226 (87.5%), H315 (87.4%) |
This chemical does not meet GHS hazard criteria for 6.1% (90 of 1480) of reports.
H226 (87.5%): Flammable liquid and vapor [Warning Flammable liquids]
2-OCTEN-4-ONE is identified by CAS 22286-99-3, molecular formula C8H14O and molecular weight 126.10 g/mol. UNII C9NB51LMXT; ChEBI 172018; InChIKey FMDLEUPBHMCPQV-GQCTYLIASA-N. Boiling Point: 81 °C (20-21 mm Hg); Density: 0.835-0.842; Refractive Index: 1.440-1.446.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-OCTEN-4-ONE