Safranal

Safranal
Compound Structure:
Synonyms: Safranal ;116-26-7; 2,3-Dihydro-2,2,6-trimethylbenzaldehyde; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde ;1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-
Compound ID: NMPC-1459
PubChem ID:

61041
Molecular Formula: C10H14O
Canonical SMILES: CC1=C(C(CC=C1)(C)C)C=O
InChIKey: SGAWOGXMMPSZPB-UHFFFAOYSA-N
About the compound:

Safranal is an organic compound isolated from saffron, the spice consisting of the stigmas of crocus flowers (Crocus sativus). It is the constituent primarily responsible for the aroma of saffron. It is believed that safranal is a degradation product of the carotenoid zeaxanthin via the intermediate picrocrocin.

GHS Hazard Statements

• H302 (80.21%): Harmful if swallowed [Warning Acute toxicity, oral]

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H317 (97.68%): May cause an allergic skin reaction [Warning Sensitization, Skin]

• H319 (99.94%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H412 (76.47%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

150.22 g/mol

XLogP3-AA

2.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

150.104465066 g/mol

Monoisotopic Mass

150.104465066 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

231

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Pale yellowish oily liquid; powerful, sweet green-floral and somewh/ tobacco-herbaceous odour.

Boiling Point

70.00 °C. @ 1.00 mm Hg

Melting Point

< 25 °C

Density

0.968-0.980 (20°)

Solubility 

Miscible at room temperature (in ethanol)

Source: PubChem                        
Source Species: Crateva adansonii
Tithonia rotundifolia
Acalypha segetalis
Pteris togoensis
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