ChemicalBook--->CAS DataBase List--->511-15-9

511-15-9

511-15-9 Structure

511-15-9 Structure
IdentificationBack Directory
[Name]

TOTAROL
[CAS]

511-15-9
[Synonyms]

TOTAROL
TOTAROL(P)
trans-Totarol
TOTAROL USP/EP/BP
TOTAROL (B637832K176)
2-PHENANTHRENOL,4B,5,6,7,8,8A
4BS TRANS,8,8-TRIMETHYL4B,5,6,7,8,8A,9,1
14-Isopropylpodocarpa-8,11,13-trien-13-ol
Podocarpa-8,11,13-trien-13-ol, 14-isopropyl-
4BS-TRANS-8,8-TRIMETHYL-4B,5,6,7,8,8A,9,10-OCTAHYDRO-1-ISOPROPYL-PHENANTHREN-2-OL
(4βS)-trans-8,8-Trimethyl-4β,5,6,7,8,8a,9,10-octahydro-1-isopropylphenanthren-2-ol
2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-
2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS-trans)-
[EINECS(EC#)]

200-158-5
[Molecular Formula]

C20H30O
[MDL Number]

MFCD02094185
[MOL File]

511-15-9.mol
[Molecular Weight]

286.45
Chemical PropertiesBack Directory
[Melting point ]

128-132 °C(lit.)
[Boiling point ]

369.4±31.0 °C(Predicted)
[density ]

0.988±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

10.90±0.60(Predicted)
[color ]

Off-White to Light Brown
[Optical Rotation]

+41.320 (c4, ethanol)
[Cosmetics Ingredients Functions]

DEODORANT
ORAL CARE
ANTIOXIDANT
[InChI]

InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1
[InChIKey]

ZRVDANDJSTYELM-FXAWDEMLSA-N
[SMILES]

C1(C(C)C)=C2C([C@]3(C)[C@@]([H])(CC2)C(C)(C)CCC3)=CC=C1O
[LogP]

6.405 (est)
[EPA Substance Registry System]

2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)- (511-15-9)
Questions And AnswerBack Directory
[Uses]

(4bS)-trans-8,8-Trimethyl-4b,5,6,7,8,8a,9,10-octahydro-1-isopropylphenanthren-2-ol is a naturally occurring diterpene that exhibits potent antimicrobial activity.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
Hazard InformationBack Directory
[Definition]

ChEBI: A natural product found in Biota orientalis.
[target]

Antifection
Spectrum DetailBack Directory
[Spectrum Detail]

TOTAROL(511-15-9)1HNMR
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