1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one (CAS 13144-88-2) — formula C12H20O, molecular weight 180.29; category organic chemicals.
| CAS Number | 13144-88-2 |
|---|---|
| Molecular Formula | C12H20O |
| Molecular Weight | 180.29 |
| LogP | 2.8 |
| Applications | IFRA Fragrance Standards: 1-(2, 4, 5, 5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one, 2-Acetyl-1, 3, 4-pentamethyl-1-cyclopentene, Ethanone, 1-(2, 5-pentamethyl-1-cyclopenten-1-yl)-, 5-Pentamethylcyclopent-1-en-1-yl)ethanone, Alpinone (commercial name), IFRA_STD_072.pdf, 49, 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 (%): 0.077 [Products applied to the lips], 0.023 [Products applied to the axillae], 0.46 [Products applied to the face, body using fingertips], 0.43 [Products related to fine fragrances], 0.11 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.11 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.11 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.11 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.25 [Products with oral and lip exposure], 0.88 [Rinse-off products applied to the hair with some hand contact], 0.88 [Leave-on products applied to the hair with some hand contact], 0.045 [Products with significant anogenital exposure (tampon)], 0.84 [Products with body and hand exposure, primarily rinse off], 3 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3 [Household care products with mostly hand contact (household aerosol, 1.7 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 1.7 [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: Ethanone, 5-pentamethyl-1-cyclopenten-1-yl)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: IFRA Fragrance Standards: 1-(2, 4, 5, 5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one, 2-Acetyl-1, 3, 4-pentamethyl-1-cyclopentene, Ethanone, 1-(2, 5-pentamethyl-1-cyclopenten-1-yl)-, 5-Pentamethylcyclopent-1-en-1-yl)ethanone, Alpinone (commercial name), IFRA_STD_072.pdf, 49, 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 (%): 0.077 [Products applied to the lips], 0.023 [Products applied to the axillae], 0.46 [Products applied to the face, body using fingertips], 0.43 [Products related to fine fragrances], 0.11 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.11 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.11 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.11 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.25 [Products with oral and lip exposure], 0.88 [Rinse-off products applied to the hair with some hand contact], 0.88 [Leave-on products applied to the hair with some hand contact], 0.045 [Products with significant anogenital exposure (tampon)], 0.84 [Products with body and hand exposure, primarily rinse off], 3 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3 [Household care products with mostly hand contact (household aerosol, 1.7 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 1.7 [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: Ethanone, 5-pentamethyl-1-cyclopenten-1-yl)-: ACTIVE.
1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one is a carbon-based organic compound with CAS registry number 13144-88-2 and molecular formula C12H20O (molecular weight 180.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13144-88-2
Its molecular formula C12H20O comprises 12 C, 20 H, 1 O atoms.
Also known as: 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one · 2-乙酰基-1,3,3,4,4-五甲基-1-环戊烯
Category: organic chemicals
The CAS registry number of 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one is 13144-88-2.
Molecular formula C12H20O, molecular weight 180.29.
It is also registered under: 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one, 2-乙酰基-1,3,3,4,4-五甲基-1-环戊烯.
Recorded applications: IFRA Fragrance Standards: 1-(2, 4, 5, 5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one, 2-Acetyl-1, 3, 4-pentamethyl-1-cyclopentene, Ethanone, 1-(2, 5-pentamethyl-1-cyclopenten-1-yl)-, 5-Pentamethylcyclopent-1-en-1-yl)ethanone, Alpinone (commercial name), IFRA_STD_072.pdf, 49, 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 (%): 0.077 [Products applied to the lips], 0.023 [Products applied to the axillae], 0.46 [Products applied to the face, body using fingertips], 0.43 [Products related to fine fragrances], 0.11 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.11 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.11 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.11 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.25 [Products with oral and lip exposure], 0.88 [Rinse-off products applied to the hair with some hand contact], 0.88 [Leave-on products applied to the hair with some hand contact], 0.045 [Products with significant anogenital exposure (tampon)], 0.84 [Products with body and hand exposure, primarily rinse off], 3 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3 [Household care products with mostly hand contact (household aerosol, 1.7 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 1.7 [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: Ethanone, 5-pentamethyl-1-cyclopenten-1-yl)-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one (CAS 13144-88-2), compiled from public chemistry databases.
| CAS 号 | 13144-88-2 |
|---|---|
| PubChem CID | 83177 |
| 分子式 | C12H20O |
| IUPAC 名称 | 1-(2,4,4,5,5-pentamethylcyclopenten-1-yl)ethanone |
| UNII（FDA） | NS00013102 |
| Molecular Weight | 180.29 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 180.151415257 |
| Monoisotopic Mass | 180.151415257 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 13 |
1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one; RefChem:592429; 236-080-0; 13144-88-2; Ethanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-; 1-(2,4,4,5,5-pentamethylcyclopenten-1-yl)ethanone; 1,3,3,4,4-Pentamethyl-2-acetyl-1-cyclopentene; 1-(2,4,4,5,5-pentamethylcyclopent-1-en-1-yl)ethan-1-one; 2-Acetyl-1,3,3,4,4-pentamethylcyclopentene; EINECS 236-080-0; 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-ethanone; Methyl 2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl Ketone; SCHEMBL445093; DTXSID9065362; LLCMOZBDJDCWLT-UHFFFAOYSA-N; DB-286905; NS00013102
| GHS 通报统计 | 60.7% (54 / 89) |
|---|
| GHS 通报统计 | 60.7% (54 / 89) |
|---|---|
| 已通报的危害声明 | H317 (39.3%) |
2-乙酰基-1,3,3,4,4-五甲基-1-环戊烯 · CAS 13144-88-2 · C12H20O. UNII NS00013102.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.