CAS 106-22-9|Citronellol

Introduction:Basic information about CAS 106-22-9|Citronellol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameCitronellol
CAS Number106-22-9Molecular Weight156.265
Density0.8±0.1 g/cm3Boiling Point224.5±0.0 °C at 760 mmHg
Molecular FormulaC10H20OMelting Point77-83 °C(lit.)
MSDSChineseUSAFlash Point98.3±0.0 °C
Symbol
GHS07
Signal WordWarning

Names

Namecitronellol
SynonymMore Synonyms

Citronellol BiologicalActivity

DescriptionCitronellol ((±)-Citronellol) is a monoterpene Pelargonium capitatum. Citronellol ((±)-Citronellol) induces necroptosis of cancer cell via up-regulating TNF-α, RIP1/RIP3 activities, down-regulating caspase-3/caspase-8 activities and increasing ROS (reactive oxygen species) accumulation[1].
Related CatalogResearch Areas >>Cancer
References

[1]. Yu WN, et al. Citronellol Induces Necroptosis of Human Lung Cancer Cells via TNF-α Pathway and Reactive Oxygen Species Accumulation. In Vivo. 2019 Jul-Aug;33(4):1193-1201

Chemical & Physical Properties

Density0.8±0.1 g/cm3
Boiling Point224.5±0.0 °C at 760 mmHg
Melting Point77-83 °C(lit.)
Molecular FormulaC10H20O
Molecular Weight156.265
Flash Point98.3±0.0 °C
Exact Mass156.151413
PSA20.23000
LogP3.38
Vapour density5.4 (vs air)
Vapour Pressure0.0±0.9 mmHg at 25°C
Index of Refraction1.451
InChIKeyQMVPMAAFGQKVCJ-UHFFFAOYSA-N
SMILESCC(C)=CCCC(C)CCO
Storage condition2-8°C
StabilityStable. Incompatible with oxidizing agents.
Water SolubilitySLIGHTLY SOLUBLE

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RH3400000
CHEMICAL NAME :
6-Octen-1-ol, 3,7-dimethyl-
CAS REGISTRY NUMBER :
106-22-9
BEILSTEIN REFERENCE NO. :
1721507
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C10-H20-O
MOLECULAR WEIGHT :
156.30
WISWESSER LINE NOTATION :
Q2Y1&3UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human - man
REFERENCE :
CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 94(8),41,1979
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 94(8),41,1979
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
REFERENCE :
CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 94(8),41,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3450 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: 13,757,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
880 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change
REFERENCE :
SIZSAR Sapporo Igaku Zasshi. Sapporo Medical Journal. (Sapporo Igaku Daigaku, Nishi-17-chome, Minami-1-jo, Chuo-ku, Sapporo 060, Japan) V.3- 1952- Volume(issue)/page/year: 3,73,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JSICAZ Journal of Scientific and Industrial Research, Section C: Biological Sciences. (New Delhi, India) V.14-21, 1955-62. For publisher information, see IJEBA6. Volume(issue)/page/year: 21,342,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2650 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: 13,757,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1604 No. of Facilities: 63 (estimated) No. of Industries: 4 No. of Occupations: 35 No. of Employees: 7418 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1604 No. of Facilities: 8621 (estimated) No. of Industries: 62 No. of Occupations: 83 No. of Employees: 163706 (estimated) No. of Female Employees: 87309 (estimated)

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH315-H317-H319
Precautionary StatementsP280-P305 + P351 + P338
Personal Protective EquipmentEyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesXi
Risk PhrasesR36/37/38
Safety PhrasesS26-S36-S24/25
RIDADRNONH for all modes of transport
WGK Germany1
RTECSRH3400000
HS Code3301292000

Customs

HS Code2905222000
Summary2905222000 3,7-dimethyloct-6-en-1-ol。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。Lowest tariff:5.5%。General tariff:30.0%

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Synonyms

Cephrol
1-CITRONELLOL
MFCD00002935
2,6 dimethyl 2 octen 8 ol
Citronellol
Elenol
Rodinol
3,7-dimethyl-oct-6-en-1-ol
EINECS 203-375-0
FEMA 2309
RHODINOL
3,7-dimethyl-6-octen-1-ol
CitroneIlol
3,7-dimethyl-6-octenol
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