3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
Basic information
- CAS
37677-14-8- Standard SMILES
CC(C)=CCCC1=CCC(C=O)CC1- InChIKey
MQBIZQLCHSZBOI-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Overview
4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde is a monoterpenoid.
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
- IUPAC
- 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
- English name
- MYRAC ALDEHYDE
- Molecular formula
- C13H20O
- Molecular weight
- 192.3
Names & synonyms
Myrac aldehyde37677-14-84-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)-para-Myrac aldehydeIsohexenyl cyclohexenyl carboxaldehyde1-Formyl-4-isohexenyl-4-cyclohexeneEINECS 253-617-41-Formyl-4-ixohexenyl-4-cyclohexene4-(4-Methyl-3-penten-1-yl)-3-cyclohexen-1-carboxaldehyde4-(4-Methyl-3-penten-1-yl)-3-cyclohexene-1-carboxaldehydeDTXSID4052051
Show more names
MYRALDENEMyracEMPETAL4-(4-Methyl-3-pentenyl)cyclohex-3-en-1-carbaldehydempetaalpara-myracaldehydeCitrus cyanaldehydeMYRAC ALDEHYDE USP/EP/BPMYRAC AMYRAC ALDEHYDELDEHYDEISOHEXENYL TETRAHYDRO BENZALDEHYDE
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-4-(4-Methylpent-3-enyl)cyclohex-3-ene-1-carboxaldehyde3-Cyclohexene-1-carboxaldehyde, 4-(5-methyl-3-penten-1-yl)-RefChem:500739DTXCID5030618253-617-44-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
Properties
Computed structural properties
- XLogP
- 3
- 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
- 244
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Isohexenyl cyclohexenyl carboxaldehyde) -> IFRA transparency List
LogP4.700
Boiling Point228.00 °C. @ 760.00 mm Hg
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 108 °C · 108 °C(Press: 1.6 Torr)
- Density
- 0.933 g/cm3 · 0.933 g/cm3
- Flash point
- 93.3 ° · >93.3°
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- color
- Colourless oily liquid
- Odor
- 10 % · at 10.00 % in dipropylene glycol. citrus greasy aldehydic floral marine
- Odor Type
- aldehydic
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
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 0.2% (3 of 1360) of reports.
Warning
H317 (74.9%): 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 1360 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)-
3-Cyclohexene-1-carboxaldehyde, 4-(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, 4-(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, 4-(4-methyl-3-pentenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1B (74.9%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN3082
- Toxicity
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- hazard_class
- 9
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
U.S. Production2023: 116,569 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 9 consumer products that contain Isohexenyl Cyclopentenyl Carbaldehyde in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-: ACTIVE
Applications
UsesMYRAC ALDEHYDE can be used in citrus, fruity, and many floral fragrances. It has a significant impact on bergamot and other citrus scents, including aldehyde top notes. Because it is more stable than most aliphatic aldehydes, it has a wider range of applications. It is excellent for scenting soaps and can enhance the freshness of everyday fragrances such as pine needle, lily of the valley, violet, and lilac. It can also be used as a masking agent for unpleasant industrial odors. It blends well with ionone and cyclohexyl derivatives of cypress wood. The dosage in fragrances can reach 5%–10%. It is generally not used for food.
OccurrenceHas apparently not been reported to occur in nature
Preparation methods
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…