1-(5,5-Dimethylcyclohexen-1-yl)pent-4-en-1-one
Basic information
- CAS
56973-85-4- Standard SMILES
C=CCCC(=O)C1=CCCC(C)(C)C1- InChIKey
OEVIJAZJVZDBQL-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-(5,5-Dimethylcyclohexen-1-yl)pent-4-en-1-one
- IUPAC
- 1-(5,5-dimethylcyclohexen-1-yl)pent-4-en-1-one
- English name
- 1-(5,5-Dimethyl-1-cyclohexen-1-yl)-4-penten-1-one
- Molecular formula
- C13H20O
- Molecular weight
- 192.3
Names & synonyms
1-(5,5-dimethylcyclohexen-1-yl)pent-4-en-1-oneRefChem:4260681-(5,5-Dimethyl-1-cyclohexen-1-yl)-4-penten-1-one56973-85-4Galbascone1-(5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)PENT-4-EN-1-ONEMFCD030929651-(5,5-Dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one4-Penten-1-one, 1-(5,5-dimethyl-1-cyclohexen-1-yl)-EINECS 260-486-7galbanum ketoneSCHEMBL112059
Show more names
DynasconeDynascone 10galbascone (IFF)GALBANONE PURE(code：8759873)1-(5,5-DIMETHYL-1-CYCLOHEXEN-1-YL)-4-PEN1-(5,5-Dimethyl-cyclohex-1-enyl)-pent-4-en-1-one
CHEMBL3730612DTXSID7052230OEVIJAZJVZDBQL-UHFFFAOYSA-NAKOS006279435DS-020297D6426NS00012287H57753
Database identifiers
- CAS
56973-85-4- PubChem CID
- 92606
- DTXSID
DTXSID7052230- ChEMBL
CHEMBL3730612- EC Number
- 260-486-7
- Nikkaji
- J24.541K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1-(5,5-Dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one) -> IFRA transparency List
Physical DescriptionLiquid; CBI
Physicochemical properties
- Boiling point
- 268.6 · 268.6±29.0 °C(Predicted)
- Density
- 0.906 · 0.906±0.06 g/cm3(Predicted)
- vapor pressure
- 1.34 Pa · 1.34Pa at 25℃
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fresh green galbanum earthy weedy pineapple narcissus
- Odor Type
- green
- Water Solubility
- 56.2 mg/L · 56.2mg/L at 20℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.1 at · 4.1 at 25℃
- EPA Substance Registry System
- 4 · 4-Penten-1-one, 1-(5,5-dimethyl-1-cyclohexen-1-yl)- (56973-85-4)
- Symbol(GHS)
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
Warning
H317 (> 99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1738 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 4-Penten-1-one, 1-(5,5-dimethyl-1-cyclohexen-1-yl)-
4-Penten-1-one, 1-(5,5-dimethyl-1-cyclohexen-1-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Penten-1-one, 1-(5,5-dimethyl-1-cyclohexen-1-yl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 1-(5,5-dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one (EC: 260-486-7)
4-Penten-1-one, 1-(5,5-dimethyl-1-cyclohexen-1-yl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1 (> 99.9%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards
1-(5,5-Dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one
α-Dynascone; 4-Penten-1-one, 1-(5,5-dimethyl-1-cyclohexen-1-yl)-; Dynascone (commercial name); Galbanone (commercial name); Galbascone (commercial name); Neobutenone (commercial name); Neogal (commercial name); Neogalbenum (commercial name)
IFRA_STD_031.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
Household ProductsInformation on 32 consumer products that contain Dimethylcyclohexenyl 3-Butenyl Ketone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
4-Penten-1-one, 1-(5,5-dimethyl-1-cyclohexen-1-yl)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.19 [Products applied to the lips]
0.057 [Products applied to the axillae]
0.18 [Products applied to the face/body using fingertips]
1.1 [Products related to fine fragrances]
0.27 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.27 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…