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CAS No.: | 18457-55-1 |
---|---|
Name: | (-)-Perillyl alcohol |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C10H16O |
Molecular Weight: | 152.236 |
Synonyms: | 1-Cyclohexene-1-methanol,4-(1-methylethenyl)-, (S)-;p-Mentha-1,8-dien-7-ol, (S)-(-)- (8CI);(-)-(S)-Perillyl alcohol;(-)-Perillic alcohol; |
EINECS: | 208-639-9 |
Density: | 0.94 g/cm3 |
Boiling Point: | 241.2 °Cat760mmHg |
Flash Point: | 99.6 °C |
Hazard Symbols: | |
Risk Codes: | 37/38-41-36/37/38 |
Safety: | 26-39-36 |
PSA: | 20.23000 |
LogP: | 2.28130 |
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Molecule structure of (-)-Perillyl alcohol (CAS NO.18457-55-1):
IUPAC Name: [(4S)-4-Prop-1-en-2-ylcyclohexen-1-yl]methanol
Molecular Weight: 152.23344 g/mol
Molecular Formula: C10H16O
Density: 0.94 g/cm3
Boiling Point: 241.2 °C at 760 mmHg
Flash Point: 99.6 °C
Index of Refraction: 1.491
Molar Refractivity: 46.87 cm3
Molar Volume: 161.8 cm3
Surface Tension: 32.1 dyne/cm
Enthalpy of Vaporization: 55.57 kJ/mol
Vapour Pressure: 0.00628 mmHg at 25 °C
Storage Temp.: 2-8 °C
XLogP3-AA: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 152.120115
MonoIsotopic Mass: 152.120115
Topological Polar Surface Area: 20.2
Heavy Atom Count: 11
Canonical SMILES: CC(=C)C1CCC(=CC1)CO
Isomeric SMILES: CC(=C)[C@H]1CCC(=CC1)CO
InChI: InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1
InChIKey: NDTYTMIUWGWIMO-SNVBAGLBSA-N
EINECS of (-)-Perillyl alcohol (CAS NO.18457-55-1): 208-639-9
Hazard Codes: Xi
Risk Statements: 37/38-41-36/37/38
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: OS8395000
F: 10
(-)-Perillyl alcohol (CAS NO.18457-55-1) is also named as (4-Isopropenyl-1-cyclohexen-1-yl)methanol ; [4-(1-Methylethenyl)-1-cyclohexen-1-yl]methanol ; [4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol ; 1,8-p-Menthadien-7-ol ; 1-Cyclohexene-1-methanol, 4- (1-methylethenyl) ; 1-cyclohexene-1-methanol, 4-(1-methylethenyl)- ; Perillic alcohol .