Basic information
- CAS
55253-28-6- Standard SMILES
C=C(C)[C@H]1CC[C@@H](C)[C@H]1C=O- InChIKey
JCDLXWAYWSJVTP-OPRDCNLKSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 5-Isopropenyl-cis-2-methylcyclopentane-1-carboxaldehyde, cis-
- IUPAC
- (1R,2R,5S)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
- English name
- Cyclopentanecarboxaldehyde, 2-methyl-5-(1-methylethenyl)-, (1R,2R,5S)-
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
cis,cis-Photocitral A55253-28-6(Z,Z)-photocitral AKQ3SDL739M(1R,2R,5S)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehydecis-5-Isopropenyl-cis-2-methylcyclopentan-1-carboxaldehyde5-Isopropenyl-cis-2-methylcyclopentane-1-carboxaldehyde, cis-PHOTOCITRAL A, (Z,Z)-DTXSID601014177Cyclopentanecarboxaldehyde, 2-methyl-5-(1-methylethenyl)-, (1R,2R,5S)-Cyclopentanecarboxaldehyde, 2-methyl-5-(1-methylethenyl)-, (1R-(1alpha,2alpha,5alpha))-CIS-5-ISOPROPENYL-CIS-2-METHYLCYCLOPENTAN-1-CARBOXALDEHYDE [FHFI]
Show more names
CYCLOPENTANECARBOXALDEHYDE, 2-METHYL-5-(1-METHYLETHENYL)-, (1R-(1.ALPHA.,2.ALPHA.,5.ALPHA.))-Cyclopentanecarboxaldehyde, 2-methyl-5-(1-methylethenyl)-, [1R-(1.alpha.,2.alpha.,5.alpha.)]-RefChem:536470DTXCID901436720(1R,2R,5S)-2-Methyl-5-(1-methylethenyl)cyclopentanecarboxaldehyde(1R,2R,5S)-2-METHYL-5-PROP-1-EN-2-YL CYCLOPENTANE-1-CARBALDEHYDEPhotocitral A, cis,cis-FEMA No. 3645
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.940-0.952 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in fats
Miscible at room temperature (in ethanol)
Boiling Point80 °C (11 mm Hg)
Refractive Index1.501-1.508
Physical DescriptionColourless liquid; minty camphoraceous odour
Physicochemical properties
- Boiling point
- 203.1 · 203.1±29.0 °C(Predicted)
- Density
- 0.946 · 0.946±0.06 g/cm3(Predicted)
- FLAVIS Number
- 5.123 · 05.123 | (1R,2R,5S) 5-Isopropenyl-2-methylcyclopentanecarboxaldehyde
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Cyclopentanecarboxaldehyde, 2-methyl-5-(1-methylethenyl)-, [1R-(1.alpha.,2.alpha.,5.alpha.)]-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cyclopentanecarboxaldehyde, 2-methyl-5-(1-methylethenyl)-, (1R,2R,5S)-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Uses & manufacturing
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
Descriptionds-5-Isopropenyl-ds-2-methylcyclopentan-1 -carboxaldehyde has a minty camphoraceous odor.
Suppliers1 total
BOC Sciences[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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