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ChemicalBook--->CAS DataBase List--->1117-61-9

1117-61-9

1117-61-9 Structure

1117-61-9 Structure
IdentificationMore
[Name]

(R)-(+)-BETA-CITRONELLOL
[CAS]

1117-61-9
[Synonyms]

(+)-B-CITRONELLOL
(+)-CITRONELLOL
CITRONELLOL D
D-CITRONELLOL
(R)-3,7-DIMETHYL-6-OCTEN-1-OL
(R)-(+)-BETA-CITRONELLOL
(R)-(+)-3,7-dimethyl-oct-6-en-1-ol
(R)-3,7-dimethyloct-6-en-1-ol
3,7-dimethyl-,(R)-6-Octen-1-ol
7-dimethyl-(theta)-6-octen-1-o
D-3,7-dimethyl-oct-6-en-1-ol
(r)-(+)-β-citronellol
6-Octen-1-ol, 3,7-dimethyl-(R)-
8-Octen-1-ol, 3,7-dimethyl-(R)
R-(+)-B-CITRONELLOL
(+)-β-Citronellol, (R)-3,7-Dimethyl-6-octen-1-ol
[3R,(+)]-3,7-Dimethyl-6-octen-1-ol
[EINECS(EC#)]

214-250-5
[Molecular Formula]

C10H20O
[MDL Number]

MFCD00063215
[Molecular Weight]

156.27
[MOL File]

1117-61-9.mol
Chemical PropertiesBack Directory
[Melting point ]

-4.05°C (estimate)
[Boiling point ]

112-113 °C12 mm Hg(lit.)
[density ]

0.857 g/mL at 25 °C(lit.)
[vapor pressure ]

~0.02 mm Hg ( 25 °C)
[refractive index ]

n20/D 1.456(lit.)
[Fp ]

213 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Sparingly, Sonicated), Ethyl Acetate, Methanol (Slightly)
[form ]

Oil
[pka]

15.13±0.10(Predicted)
[color ]

Colourless
[Odor]

at 100.00 %. citronella oil rose leaf oily petal
[Odor Type]

floral
[optical activity]

[α]19/D +5.3°, neat
[BRN ]

1721506
[LogP]

3.239 (est)
[CAS DataBase Reference]

1117-61-9(CAS DataBase Reference)
[EPA Substance Registry System]

6-Octen-1-ol, 3,7-dimethyl-, (3R)- (1117-61-9)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3082
[WGK Germany ]

3
Hazard InformationBack Directory
[Description]

(+)-β-Citronellol is a monoterpene that has been found in Cannabis. It inhibits degranulation of cultured mast cells by 21.3% when used at a concentration of 0.5 mM. Unlike (R)-citronellal, it does not reduce the perceived bitterness of caffeine when used at a concentration of 5.9 nM. Formulations containing (+)-β-citronellol have been used as fragrance ingredients in various cosmetics, toiletries, and cleaning products.
[Uses]

(R)-(+)-β-Citronellol can undergo:
  • Oxidation to form (R)-(+)-citronellal, an antifungal agent and (R)-(+)-citronellic acid.
  • Intermolecular olefin aziridination with 2,2,2-trichloroethoxysulfonamide to form citronellol aziridine for ring-opening reactions.
  • Series of reactions to form α2δ-ligands for treating generalized anxiety disorder and insomnia.

[Definition]

ChEBI: A citronellol that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7 (the 3R-enantiomer).
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-(+)-BETA-CITRONELLOL(1117-61-9)1HNMR
(R)-(+)-BETA-CITRONELLOL(1117-61-9)IR
(R)-(+)-BETA-CITRONELLOL(1117-61-9)FT-IR
(R)-(+)-BETA-CITRONELLOL(1117-61-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1117-61-9(sigmaaldrich)
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