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18881-04-4

18881-04-4 Structure

18881-04-4 Structure
IdentificationBack Directory
[Name]

(S)-CIS-VERBENOL
[CAS]

18881-04-4
[Synonyms]

Z-Verbenol
(S)-CIS-VERBENOL
(1S)-CIS-VERBENOL
(4S)-cis-Verbenol
(S)-cis-Verbenol 95%
(S)-CIS-VERBENOL, 95% (50+% E.E.)
(S)-cis-Verbenol,97%,sum of isomers
(S)-cis-Verbenol, sum of isomers, 97%
cis-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol
(1S,2S)-4,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-EN-2-OL
(1S-CIS)-4,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-EN-2-OL
(1S,5S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2β-ol
(1α,5α)-4,6,6-Trimethylbicyclo[3.1.1]hepta-3-ene-2β-ol
(1S,2S,5S)-4,6,6-triMethylbicyclo[3.1.1]hept-3-en-2-ol
4,6,6-trimethyl-,(1s,2s,5s)-bicyclo[3.1.1]hept-3-en-2-o
(1β,4S,5β)-2,6,6-Trimethylbicyclo[3.1.1]hepta-2-ene-4α-ol
(1S,1α,5α)-4,6,6-Trimethylbicyclo[3.1.1]hepta-3-ene-2β-ol
BICYCLO[3.3.1]HEPT-3-EN-2-OL,4,6,6-TRIMETHYL-,[1S-(1a,2b,5a)]-
Inchi=1/C10H16o/C1-6-4-9(11)8-5-7(6)10(8,2)3/H4,7-9,11H,5H2,1-3h
(S)-cis-Verbenol,(1S,2S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol
[1S-(1alpha,2beta,5alpha)]-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, [1S-(1alpha,2beta,5alpha)]-
[EINECS(EC#)]

242-645-2
[Molecular Formula]

C10H16O
[MDL Number]

MFCD00065444
[MOL File]

18881-04-4.mol
[Molecular Weight]

152.23
Chemical PropertiesBack Directory
[Appearance]

White to pale yellow crystals
[Melting point ]

62-65 °C(lit.)
[Boiling point ]

214.9±9.0 °C(Predicted)
[density ]

1.002±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[form ]

Powder
[pka]

14.56±0.60(Predicted)
[color ]

Bordeaux to dark brown-red
[Odor]

at 100.00 %. balsamic
[Odor Type]

balsamic
[Optical Rotation]

[α]20/D 9° in chloroform &_& [α]20/D +10° in ethanol
[BRN ]

2206582
[InChI]

InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m0/s1
[InChIKey]

WONIGEXYPVIKFS-YIZRAAEISA-N
[SMILES]

[C@]12([H])C[C@]([H])(C1(C)C)C(C)=C[C@@H]2O
[LogP]

3.160
[EPA Substance Registry System]

(S)-cis-Verbenol (18881-04-4)
Hazard InformationBack Directory
[Chemical Properties]

White to pale yellow crystals
[Uses]

(S)-cis-Verbenol (cas# 18881-04-4) is used as a pheromone dispenser and in the method for trapping harmful forest, horticultural and agricultural insects.
[General Description]

(S)-cis-verbenol is an aggregation pheromone component in the bark beetles. It shows potent anti-oxidative and anti-inflammatory activities.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[F ]

8
[TSCA ]

TSCA listed
[HS Code ]

29061990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-CIS-VERBENOL(18881-04-4)1HNMR
(S)-CIS-VERBENOL(18881-04-4)Raman
(S)-CIS-VERBENOL(18881-04-4)IR
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