CAS 106-22-9|Citronellol
| Common Name | Citronellol | ||
|---|---|---|---|
| CAS Number | 106-22-9 | Molecular Weight | 156.265 |
| Density | 0.8±0.1 g/cm3 | Boiling Point | 224.5±0.0 °C at 760 mmHg |
| Molecular Formula | C10H20O | Melting Point | 77-83 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 98.3±0.0 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | citronellol |
|---|---|
| Synonym | More Synonyms |
Citronellol BiologicalActivity
| Description | Citronellol ((±)-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 Catalog | Research 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
| Density | 0.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 224.5±0.0 °C at 760 mmHg |
| Melting Point | 77-83 °C(lit.) |
| Molecular Formula | C10H20O |
| Molecular Weight | 156.265 |
| Flash Point | 98.3±0.0 °C |
| Exact Mass | 156.151413 |
| PSA | 20.23000 |
| LogP | 3.38 |
| Vapour density | 5.4 (vs air) |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.451 |
| InChIKey | QMVPMAAFGQKVCJ-UHFFFAOYSA-N |
| SMILES | CC(C)=CCCC(C)CCO |
| Storage condition | 2-8°C |
| Stability | Stable. Incompatible with oxidizing agents. |
| Water Solubility | SLIGHTLY SOLUBLE |
Toxicological Information
CHEMICAL IDENTIFICATION |
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 Word | Warning |
| Hazard Statements | H315-H317-H319 |
| Precautionary Statements | P280-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 1 |
| RTECS | RH3400000 |
| HS Code | 3301292000 |
Customs
| HS Code | 2905222000 |
|---|---|
| Summary | 2905222000 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% |
Articles38
More Articles| Characterization of skin sensitizers from autoxidized citronellol - impact of the terpene structure on the autoxidation process. Contact Dermatitis 70(6) , 329-39, (2014) Citronellol is a frequently used fragrance compound in consumer products. It is present in fragrance mix II, which is used for screening of contact allergy to fragrances. Because of its chemical struc... | |
| Toward the stereochemical identification of prohibited characterizing flavors in tobacco products: the case of strawberry flavor. Arch. Toxicol. 89 , 1241-55, (2015) With the revision of the European Tobacco Products Directive (2014/40/EU), characterizing flavors such as strawberry, candy, vanillin or chocolate will be prohibited in cigarettes and fine-cut tobacco... | |
| 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... |
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 |
