Basic information
- CAS
13144-88-2- Standard SMILES
CC(=O)C1=C(C)CC(C)(C)C1(C)C- InChIKey
LLCMOZBDJDCWLT-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one
- IUPAC
- 1-(2,4,4,5,5-pentamethylcyclopenten-1-yl)ethanone
- English name
- 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one
- Molecular formula
- C12H20O
- Molecular weight
- 180.29
Names & synonyms
1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-oneRefChem:592429236-080-013144-88-2Ethanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-1-(2,4,4,5,5-pentamethylcyclopenten-1-yl)ethanone1-(2,4,4,5,5-pentamethylcyclopent-1-en-1-yl)ethan-1-one1,3,3,4,4-Pentamethyl-2-acetyl-1-cyclopentene2-Acetyl-1,3,3,4,4-pentamethylcyclopenteneEINECS 236-080-01-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-ethanone; Methyl 2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl KetoneSCHEMBL445093
Show more names
2-Acetyl-1,3,3,4,4-pentamethyl-1-cyclopentene1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethanone1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-ethanon
DTXSID9065362LLCMOZBDJDCWLT-UHFFFAOYSA-NDB-286905NS00013102
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
FragrancesFragrance substance (1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one) -> IFRA amendment 49
Physicochemical properties
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.369 · 3.369 (est)
- EPA Substance Registry System
- 1 · Ethanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)- (13144-88-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 60.7% (54 of 89) of all reports.
Warning
H317 (39.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Ethanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-
Other Safety InformationIMAP assessments - Ethanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1B (39.3%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
IFRA Fragrance Standards
1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one
2-Acetyl-1,3,3,4,4-pentamethyl-1-cyclopentene; Ethanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-; 1-(2,4,4,5,5-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
General Manufacturing InformationEthanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-: ACTIVE
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)]
Applications
Uses1,3,3,4,4-Pentamethyl-2-acetyl-1-cyclopentene is an ingredient that is found in fragrance materials.
Suppliers3 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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