(E)-3,4,5,6,6-五甲基-3-庚烯-2-酮（CAS 81786-74-5）：分子式 C12H22O、分子量 182.30。
| CAS号 | 81786-74-5 |
|---|---|
| 分子式 | C12H22O |
| 分子量 | 182.30 |
| LogP | 3.7 |
| 应用领域 | Use Classification: Fragrance Ingredients、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Information on 35 consumer products that contain Pentamethylheptenone in the following categories is provided:、• Auto Products、• Inside the Home、• Personal Care、IFRA Fragrance Standards: 3、4、5、6、6-Pentamethylhept-3-en-2-one、3、2-Heptanone、6-tetramethyl-4-methylene-、6-Tetramethyl-4-methyleneheptan-2-one、6-Tetramethyl-4-methylideneheptan-2-one、(Z)-3、3-Hepten-2-one、6-pentamethyl-、(Z)-、(E)-3、(E)-、Acetyl Diisoamylene (commercial name)、Koavone (commercial name)、IFRA_STD_232.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 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.、Restriction Limits in the Finished Product (%): 0.0095 [Products applied to the lips]、0.10 [Products applied to the axillae]、0.019 [Products applied to the face、body using fingertips]、1.9 [Products related to fine fragrances]、0.26 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.029 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.0095 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.0032 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.0095 [Products with oral and lip exposure]、0.086 [Rinse-off products applied to the hair with some hand contact]、0.086 [Leave-on products applied to the hair with some hand contact]、0.0032 [Products with significant anogenital exposure (tampon)]、0.39 [Products with body and hand exposure、primarily rinse off]、0.39 [Household care products with mostly hand contact (excluding aerosol、spray products)]、2.6 [Household care products with mostly hand contact (household aerosol、0.0032 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、0.0032 [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: 1、207、268 lb、2022: 1、459、250 lb、2021: 1、886、302 lb、2020: 1、980、505 lb、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing |
登记用途：Use Classification: Fragrance Ingredients、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Information on 35 consumer products that contain Pentamethylheptenone in the following categories is provided:、• Auto Products、• Inside the Home、• Personal Care、IFRA Fragrance Standards: 3、4、5、6、6-Pentamethylhept-3-en-2-one、3、2-Heptanone、6-tetramethyl-4-methylene-、6-Tetramethyl-4-methyleneheptan-2-one、6-Tetramethyl-4-methylideneheptan-2-one、(Z)-3、3-Hepten-2-one、6-pentamethyl-、(Z)-、(E)-3、(E)-、Acetyl Diisoamylene (commercial name)、Koavone (commercial name)、IFRA_STD_232.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 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.、Restriction Limits in the Finished Product (%): 0.0095 [Products applied to the lips]、0.10 [Products applied to the axillae]、0.019 [Products applied to the face、body using fingertips]、1.9 [Products related to fine fragrances]、0.26 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.029 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.0095 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.0032 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.0095 [Products with oral and lip exposure]、0.086 [Rinse-off products applied to the hair with some hand contact]、0.086 [Leave-on products applied to the hair with some hand contact]、0.0032 [Products with significant anogenital exposure (tampon)]、0.39 [Products with body and hand exposure、primarily rinse off]、0.39 [Household care products with mostly hand contact (excluding aerosol、spray products)]、2.6 [Household care products with mostly hand contact (household aerosol、0.0032 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、0.0032 [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: 1、207、268 lb、2022: 1、459、250 lb、2021: 1、886、302 lb、2020: 1、980、505 lb、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing。
(E)-3,4,5,6,6-五甲基-3-庚烯-2-酮 是一种化工化合物，登记 CAS 号为 81786-74-5，分子式 C12H22O（分子量 182.30）。
登记 CAS 号：81786-74-5
其分子式 C12H22O 由 12 个碳、22 个氢、1 个氧 组成。
别名/同义词：(E)-3,4,5,6,6-五甲基-3-庚烯-2-酮 · (E)-3,4,5,6,6-pentamethylhept-3-en-2-one
(E)-3,4,5,6,6-五甲基-3-庚烯-2-酮 的 CAS 登记号为 81786-74-5。
分子式 C12H22O，分子量 182.30。
别名/同义词：(E)-3,4,5,6,6-五甲基-3-庚烯-2-酮、(E)-3,4,5,6,6-pentamethylhept-3-en-2-one。
登记用途：Use Classification: Fragrance Ingredients、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Information on 35 consumer products that contain Pentamethylheptenone in the following categories is provided:、• Auto Products、• Inside the Home、• Personal Care、IFRA Fragrance Standards: 3、4、5、6、6-Pentamethylhept-3-en-2-one、3、2-Heptanone、6-tetramethyl-4-methylene-、6-Tetramethyl-4-methyleneheptan-2-one、6-Tetramethyl-4-methylideneheptan-2-one、(Z)-3、3-Hepten-2-one、6-pentamethyl-、(Z)-、(E)-3、(E)-、Acetyl Diisoamylene (commercial name)、Koavone (commercial name)、IFRA_STD_232.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 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.、Restriction Limits in the Finished Product (%): 0.0095 [Products applied to the lips]、0.10 [Products applied to the axillae]、0.019 [Products applied to the face、body using fingertips]、1.9 [Products related to fine fragrances]、0.26 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.029 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.0095 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.0032 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.0095 [Products with oral and lip exposure]、0.086 [Rinse-off products applied to the hair with some hand contact]、0.086 [Leave-on products applied to the hair with some hand contact]、0.0032 [Products with significant anogenital exposure (tampon)]、0.39 [Products with body and hand exposure、primarily rinse off]、0.39 [Household care products with mostly hand contact (excluding aerosol、spray products)]、2.6 [Household care products with mostly hand contact (household aerosol、0.0032 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、0.0032 [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: 1、207、268 lb、2022: 1、459、250 lb、2021: 1、886、302 lb、2020: 1、980、505 lb、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing。
(E)-3,4,5,6,6-五甲基-3-庚烯-2-酮（CAS 81786-74-5）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 81786-74-5 |
|---|---|
| PubChem CID | 6365813 |
| 分子式 | C12H22O |
| IUPAC 名称 | (E)-3,4,5,6,6-pentamethylhept-3-en-2-one |
| UNII（FDA） | 794M63V15G |
| Molecular Weight | 182.30 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 182.167065321 |
| Monoisotopic Mass | 182.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 13 |
(E)-3,4,5,6,6-Pentamethylhept-3-en-2-one; 81786-74-5; Pentamethylheptenone, (3E)-; 794M63V15G; 3-Hepten-2-one, 3,4,5,6,6-pentamethyl-, (E)-; DTXSID3052563; RefChem:1050204; DTXCID0031136; (3E)-3,4,5,6,6-Pentamethyl-3-hepten-2-one; 279-823-4; UNII-794M63V15G; EINECS 279-823-4; 3-Hepten-2-one, 3,4,5,6,6-pentamethyl-, (3E)-; pentamethylheptenone; 3-Hepten-2-one, 3,4,5,6,6-pentamethyl-; UNII-2LWQ06RVCD
| 已通报的危害声明 | H317 (38%), H411 (49.3%), H412 (50.7%) |
|---|
(E)-3,4,5,6,6-五甲基-3-庚烯-2-酮 · CAS 81786-74-5 · C12H22O. UNII 794M63V15G.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: (E)-3,4,5,6,6-pentamethylhept-3-en-2-one