Cyclamen aldehyde diethyl acetal
Basic information
- CAS
7149-24-8- Standard SMILES
CCOC(OCC)C(C)Cc1ccc(C(C)C)cc1- InChIKey
YZGBDMRJUNSBTG-UHFFFAOYSA-N- Molecular formula
- C17H28O2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.20893013
Names & identifiers
- Preferred name
- Cyclamen aldehyde diethyl acetal
- IUPAC
- 1-(3,3-diethoxy-2-methylpropyl)-4-propan-2-ylbenzene
- English name
- 1-(3,3-diethoxy-2-methylpropyl)-4-(isopropyl)benzene
- Molecular formula
- C17H28O2
- Molecular weight
- 264.40302
Names & synonyms
Cyclamen aldehyde diethyl acetal7149-24-8Benzene, 1-(3,3-diethoxy-2-methylpropyl)-4-(1-methylethyl)-EINECS 230-470-4NSC 72021BRN 32879861-(3,3-Diethoxy-2-methylpropyl)-4-(isopropyl)benzenealpha-Methyl-p-isopropyl hydrocinnamic aldehyde diethyl acetalDTXSID30864016HYDROCINNAMALDEHYDE, p-ISOPROPYL-alpha-METHYL-, DIETHYL ACETAL3-07-00-01201 (Beilstein Handbook Reference)RefChem:580172
Show more names
CYCLAMENALDEHYDEDIETHYLACETAL1-(3,3-Diethoxy-2-methylpropyl)-4-(isopropyl)benzol2-Methyl-3-(p-isopropylphenyl)propionaldehyde diethyl acetalα,β-Dihydro-p-isopropyl-α-methylcinnamaldehyde diethyl acetal
DTXCID30812572230-470-41-(3,3-diethoxy-2-methylpropyl)-4-(propan-2-yl)benzeneYZGBDMRJUNSBTG-UHFFFAOYSA-NNSC72021NSC-72021WLN: 2OYO2&Y1&1R DY1&1DB-285195
Database identifiers
- CAS
7149-24-8- PubChem CID
- 23534
- DTXSID
DTXSID30864016- EC Number
- 230-470-4
- Nikkaji
- J36.951I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 367.63 °C · 367.63°C (rough estimate)
- Density
- 0.9716 · 0.9716 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- color
- A colourless liquid.
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.662 · 4.662 (est)
- EPA Substance Registry System
- 1 · Benzene, 1-(3,3-diethoxy-2-methylpropyl)-4-(1-methylethyl)- (7149-24-8)
- TSCA
- TSCA listed
- Toxicity
- 50 value · Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1976).
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 100% (234 of 234) of all reports.
Not Classified
Aggregated GHS information provided per 234 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Toxicity
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1976).
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-(3,3-diethoxy-2-methylpropyl)-4-(1-methylethyl)-: INACTIVE
Applications
OccurrenceHas apparently not been reported to occur in nature.
Preparation methods
PreparationBy the interaction of cyclamen aldehyde with triethyl orthoformate.
Upstream & downstream products
Upstream raw materials
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Compound notes
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