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Cyclamen aldehyde dimethyl acetal

HCID 64863
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
29886-96-2
Standard SMILES
COC(OC)C(C)Cc1ccc(C(C)C)cc1
InChIKey
ZGNMAGBUXLWHOL-UHFFFAOYSA-N
Molecular formula
C15H24O2
Average molar mass
236.35 g/mol
Monoisotopic mass
236.17763

Names & identifiers

Preferred name
Cyclamen aldehyde dimethyl acetal
IUPAC
1-(3,3-dimethoxy-2-methylpropyl)-4-propan-2-ylbenzene
English name
CYCLAMENALDEHYDEDIMETHYLACETAL
Molecular formula
C15H24O2
Molecular weight
236.353

Names & synonyms

Cyclamen aldehyde dimethyl acetal29886-96-2RefChem:10823921-(3,3-Dimethoxy-2-methylpropyl)-4-(1-methylethyl)benzenealpha-Methyl-para-isopropylhydrocinnamic aldehyde dimethyl acetalHydrocinnamaldehyde, p-isopropyl-alpha-methyl-, dimethyl acetalSCHEMBL2400867DTXSID70952340Propionaldehyde, 2-(para-isopropylbenzyl)-, dimethyl acetalBenzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1-methylethyl)-1-(3,3-dimethoxy-2-methylpropyl)-4-(propan-2-yl)benzene1-(3,3-Dimethoxy-2-methylpropyl)-4-(propan-2-yl)benzenato
Show more names
CYCLAMENALDEHYDEDIMETHYLACETAL1-(3,3-dimethoxy-2-methylpropyl)-4-propan-2-ylbenzene

Database identifiers

CAS
29886-96-2
PubChem CID
64863
DTXSID
DTXSID70952340
EC Number
630-484-4

Properties

Computed structural properties

XLogP
4
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
17
Formal charge
0
Complexity
191

Physicochemical properties

Boiling point
338.82 °C · 338.82°C (rough estimate)
Density
0.9845 · 0.9845 (rough estimate)
refractive index
1.5542 · 1.5542 (estimate)
LogP
3.643 · 3.643 (est)

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 · 3 items

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

Related reactions

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Compound notes

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