dl-Citronellol acetate

Names

[ CAS No. ]:
150-84-5

[ Name ]:
dl-Citronellol acetate

[Synonym ]:
3,7-Dimethyl-6-octen-1-yl acetate
Citronellyl acetate
3,7-Dimethyloct-6-en-1-yl acetate
6-Octen-1-ol, 3,7-dimethyl-, acetate
MFCD00015039
8-Acetoxy-2,6-dimethyl-2-octene
3,7-Dimethyl-6-octen-1-ylacetat
EINECS 205-775-0
Acétate de 3,7-diméthyl-6-octèn-1-yle
3,7-Dimethyl-6-octen-1-ol Acetate
(±)-Citronellyl acetate
dl-Citronellol acetate
β-Citronellyl acetate

Biological Activity

[Description]:

Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].

[Related Catalog]:

Signaling Pathways >> Apoptosis >> Apoptosis

Research Areas >> Cancer

Research Areas >> Infection

[References]

[1]. Rios ER, et al. TRP and ASIC channels mediate the antinociceptive effect of citronellyl acetate. Chem Biol Interact. 2013 May 25;203(3):573-9.

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
258.5±19.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₂H₂₂O₂

[ Molecular Weight ]:
198.302

[ Flash Point ]:
88.2±19.9 °C

[ Exact Mass ]:
198.161987

[ PSA ]:
26.30000

[ LogP ]:
4.28

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.442

[ Water Solubility ]:
PRACTICALLY INSOLUBLE

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RH3422500

CHEMICAL NAME :: 6-Octen-1-ol, 3,7-dimethyl-, acetate

CAS REGISTRY NUMBER :: 150-84-5

BEILSTEIN REFERENCE NO. :: 1723886

LAST UPDATED :: 199701

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C12-H22-O2

MOLECULAR WEIGHT :: 198.34

WISWESSER LINE NOTATION :: 1Y1&U3Y1&WOV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Human

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 11,1069,1973

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 11,1069,1973 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 11,1069,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83186 No. of Facilities: 35 (estimated) No. of Industries: 2 No. of Occupations: 29 No. of Employees: 4144 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83186 No. of Facilities: 1857 (estimated) No. of Industries: 6 No. of Occupations: 20 No. of Employees: 27608 (estimated) No. of Female Employees: 18603 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
RH3422500

[ HS Code ]:
2915390090

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2915390090

[ Summary ]:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

Articles

Bio-degradation of acetates of geraniol, nerol & citronellol by P. incognita: isolation & identification of metabolites.

Indian J. Biochem. Biophys. 20(3) , 136-40, (1983)

Pesticide determination in rose petals using dispersive solid-phase extraction followed by gas chromatography-tandem mass spectrometry.

Anal. Bioanal. Chem 406(30) , 8041-8, (2014)

Damascena and centifolia roses are cultivated worldwide for their petal extracts that contain key odorant ingredients of perfumes. The analytical identification and quantification of pesticides in ros...

Behavior of Multiclass Pesticide Residue Concentrations during the Transformation from Rose Petals to Rose Absolute.

J. Agric. Food Chem. 63 , 4922-32, (2015)

This study investigates the concentrations of 54 multiclass pesticides during the transformation processes from rose petal to concrete and absolute using roses spiked with pesticides as a model. The c...