Precyclemone B
Basic information
- CAS
52474-60-9- Standard SMILES
CC(C)=CCCC1=CCCC(C)(C=O)C1- InChIKey
MBVBLQFHVRGNLW-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- Precyclemone B
- IUPAC
- 1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
- English name
- Precyclemone B
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
Precyclemone B52474-60-9Myrmac aldehyde1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde3-Cyclohexene-1-carboxaldehyde, 1-methyl-3-(4-methyl-3-penten-1-yl)-J28HO9G580EINECS 257-941-71-Methyl-3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehydeUNII-J28HO9G580DTXSID208662663-CYCLOHEXENE-1-CARBOXALDEHYDE, 1-METHYL-3-(4-METHYL-3-PENTEN-1-YL)RefChem:175794
Show more names
Myrac aldehydePrecyclemoneALDEMONEMYRIC ALDEHYDEMYRAMCALDEHYDEPrecyclemone B USP/EP/BP52474-60-9 Precyclemone B1-METHYL-4-(4-METHYL-PENT-3-ENYL)-CYCLOHEX-3-ENECARBALDEHYDE
DTXCID60814569257-941-71-Methyl-4-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehydePrecyclemoneB1-methyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde3-Cyclohexene-1-carboxaldehyde, 1-methyl-3-(4-methyl-3-pentenyl)-1-methyl-3-(4-methylpent-3-enyl)-1-cyclohex-3-enecarboxaldehyde1-Methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
Database identifiers
- CAS
52474-60-9- PubChem CID
- 103648
- DTXSID
DTXSID20866266- UNII
- J28HO9G580
- EC Number
- 257-941-7
- Nikkaji
- J295.670E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1-Methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde) -> IFRA transparency List
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 280.3 · 280.3±39.0 °C(Predicted)
- Density
- 0.938 · 0.938±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. citrus ozone aldehydic grapefruit muguet
- Odor Type
- citrus
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.36 · 4.360
- FDA UNII
- 28 HO9G580 · J28HO9G580
- EPA Substance Registry System
- 3 · 3-Cyclohexene-1-carboxaldehyde, 1-methyl-3-(4-methyl-3-pentenyl)- (52474-60-9)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
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 98.8% (1190 of 1204) of all reports.
Not Classified
Aggregated GHS information provided per 1204 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3-Cyclohexene-1-carboxaldehyde, 1-methyl-3-(4-methyl-3-pentenyl)-
3-Cyclohexene-1-carboxaldehyde, 1-methyl-3-(4-methyl-3-penten-1-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Cyclohexene-1-carboxaldehyde, 1-methyl-3-(4-methyl-3-penten-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)
3-Cyclohexene-1-carboxaldehyde, 1-methyl-3-(4-methyl-3-pentenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- Hazard statements
- H225
- Precautionary statements
- P210-P403+P235
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 67,657 lb
Industry UsesOther
Household ProductsInformation on 10 consumer products that contain Methyl-Methylpentenylcyclohexene-1-Carbaldehyde in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
3-Cyclohexene-1-carboxaldehyde, 1-methyl-3-(4-methyl-3-penten-1-yl)-: ACTIVE
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Related reactions
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Compound notes
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