Basic information
- Name:
l-Perillaldehyde
- CAS No.:
18031-40-8
- Molecular Structure:
- Formula:
- C10H14O
- Molecular Weight:
- 150.22
- Synonyms:
- 1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-,(S)-(-)- (8CI);(-)-(S)-Perillaldehyde;(-)-Perilla aldehyde;(-)-Perillaldehyde;(4S)-p-Mentha-1,8-dien-7-al;(S)-(-)-Perillaldehyde;(S)-(-)-Perillic aldehyde;(S)-Perillaldehyde;1-Cyclohexene-1-carboxaldehyde,4-(1-methylethenyl)-, (S)-;
- Density:
- 1.002 g/cm3
- Boiling Point:
- 238 °C at 760 mmHg
- Flash Point:
- 95.556 °C
- Appearance:
- clear light yellow liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26 Details
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Chemistry
IUPAC Name: 4-Prop-1-en-2-ylcyclohexene-1-carbaldehyde
Molecular Weight: 150.21756 g/mol
Molecular Formula: C10H14O
Surface Tension: 40.1 dyne/cm
Density: 1.002 g/cm3
Flash Point: 95.6 °C
Enthalpy of Vaporization: 47.48 kJ/mol
Boiling Point: 238 °C at 760 mmHg
Vapour Pressure: 0.0434 mmHg at 25 °C
Refractive Index: n20/D 1.509
XLogP3-AA: 2.6
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 150.104465
MonoIsotopic Mass: 150.104465
Topological Polar Surface Area: 17.1
Heavy Atom Count: 11
Canonical SMILES: CC(=C)C1CCC(=CC1)C=O
Isomeric SMILES: CC(=C)[C@H]1CCC(=CC1)C=O
InChI: InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1
InChIKey: RUMOYJJNUMEFDD-SNVBAGLBSA-N
EINECS: 218-302-8
Product Categories: Aromatic Aldehydes & Derivatives (substituted);Biochemistry;Monocyclic Monoterpenes;Terpenes
the molecular structure of l-Perillaldehyde (CAS NO.18031-40-8):
Safety Profile
Hazard Codes:
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: GW2967200
F: 10
Specification
l-Perillaldehyde (CAS NO.18031-40-8) is also named as (-)-Perillaldehyde ; (S)-4-Isopropenyl-1-cyclohexene-1-carboxaldehyde ; CCRIS 7325 ; l-Perillaldehyde ; 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (4S)- ; 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (S)-(-)- (9CI) ; 1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-, (S)-(-)- . l-Perillaldehyde (CAS NO.18031-40-8) is clear light yellow liquid.