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596-85-0

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Basic Information
CAS No.: 596-85-0
Name: MANOOL
Article Data: 18
Molecular Structure:
Molecular Structure of 596-85-0 (MANOOL)
Formula: C20H34 O
Molecular Weight: 290.489
Synonyms: 1-Naphthalenepropanol,a-ethenyldecahydro-a,5,5,8a-tetramethyl-2-methylene-,[1S-[1a(S*),4ab,8aa]]-; Labda-8(20),14-dien-13-ol, (13R)- (8CI); Manool(6CI,7CI); NSC 165961
Density: 0.93g/cm3
Melting Point: 49-52 °C(lit.)
Boiling Point: 368.2°Cat760mmHg
Flash Point: 118.2°C
Hazard Symbols:
Risk Codes: R36/37/38   
PSA: 20.23000
LogP: 5.50240
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Chemistry

 Molecular Structure of Manool (CAS No.596-85-0):
 
Molecular Formula: C20H34O 
Molecular Weight: 290.4834
IUPAC Name: (3S)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol 
CAS No: 596-85-0
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.5
Molar Refractivity: 91.38 cm3
Molar Volume: 310.2 cm3
Surface Tension: 33.8 dyne/cm
Density: 0.93 g/cm3
Flash Point: 118.2 °C
Enthalpy of Vaporization: 71.14 kJ/mol
Boiling Point: 368.2 °C at 760 mmHg
Vapour Pressure: 6.45E-07 mmHg at 25°C
InChI: InChI=1/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3
InChIKey: CECREIRZLPLYDM-UHFFFAOYAM
Std. InChI: InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3
Std. InChIKey: CECREIRZLPLYDM-UHFFFAOYSA-N
Synonyms of Manool (CAS No.596-85-0): 1-naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8a-tetramethyl-2-methylene- ; 3-Methyl-5-(5,5,8a-trimethyl-2-methylene-decahydro-naphthalen-1-yl)-pent-1-en-3-ol ; 3-methyl-5-(5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl)pent-1-en-3-ol    
Product Categories: Miscellaneous Natural Products

Safety Profile

Hazard Codes:IrritantXi
Risk Statements:36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany:3