CAS 106-25-2|cis-3,7-Dimethyl-2,6-octadien-1-ol
| Common Name | cis-3,7-Dimethyl-2,6-octadien-1-ol | ||
|---|---|---|---|
| CAS Number | 106-25-2 | Molecular Weight | 154.249 |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 229.5±0.0 °C at 760 mmHg |
| Molecular Formula | C10H18O | Melting Point | < -10ºC |
| MSDS | ChineseUSA | Flash Point | 76.7±0.0 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | nerol |
|---|---|
| Synonym | More Synonyms |
cis-3,7-Dimethyl-2,6-octadien-1-ol BiologicalActivity
| Description | Nerol is a constituent of neroli oil. Nerol Nerol triggers mitochondrial dysfunction and induces apoptosis via elevation of Ca2+ and ROS. Antifungal activity[1][2]. |
|---|---|
| Related Catalog | Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>Fungal |
| In Vitro | Nerol induces apoptosis associated with the generation of ROS and Ca2+ overload in saprotrophic fungus Aspergillus flavus[1]. The antifungal activity of Nerol (NEL) against Candida albicans, a pathogenic fungus, has a minimum inhibitory concentration (MIC) of 4.4μM that causes noteworthy candidacidal activity through an apoptosis-like mechanism[2]. Nerol triggers mitochondrial dysfunction and disruption via elevation of Ca2+ and ROS in Candida albicans[2]. |
| References | [1]. Tian J, et al. Nerol-induced apoptosis associated with the generation of ROS and Ca2+ overload in saprotrophic fungus Aspergillus flavus. Appl Microbiol Biotechnol. 2018 Aug;102(15):6659-6672. [2]. Tian J, et al. Nerol triggers mitochondrial dysfunction and disruption via elevation of Ca2+ and ROS in Candida albicans. Int J Biochem Cell Biol. 2017 Apr;85:114-122. |
Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 229.5±0.0 °C at 760 mmHg |
| Melting Point | < -10ºC |
| Molecular Formula | C10H18O |
| Molecular Weight | 154.249 |
| Flash Point | 76.7±0.0 °C |
| Exact Mass | 154.135757 |
| PSA | 20.23000 |
| LogP | 3.28 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.471 |
| InChIKey | GLZPCOQZEFWAFX-YFHOEESVSA-N |
| SMILES | CC(C)=CCCC(C)=CCO |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - 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: 14,623,1976 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4500 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: 14,623,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3 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 :
- >5 gm/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: 14,623,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9625 No. of Facilities: 1991 (estimated) No. of Industries: 4 No. of Occupations: 9 No. of Employees: 13881 (estimated) No. of Female Employees: 7957 (estimated)
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-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 | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | RG5840000 |
| HS Code | 2907299090 |
Customs
| HS Code | 2905221000 |
|---|---|
| Summary | 2905221000. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0% |
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| Synthesis of phosphatidylated-monoterpene alcohols catalyzed by phospholipase D and their antiproliferative effects on human cancer cells. Bioorg. Med. Chem. Lett. 18 , 4044-6, (2008) In order to prepare functional phospholipids in the medical and pharmaceutical fields, perillyl alcohol, myrtenol, and nerol were transphosphatidylated via phospholipase D in an aqueous system. The yi... |
Synonyms
| 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- |
| Nerol |
| NEROL BJ |
| 2,6-Octadien-1-ol,3,7-dimethyl-, (2Z)- |
| (Z)-3,7-Dimethylocta-2,6-dien-1-ol |
| NEROLEX |
| cis-2,6-Dimethyl-2,6-octadien-8-ol |
| FEMA 2770 |
| (2Z)-3,7-Dimethyl-2,6-octadien-1-ol |
| Vernol |
| EINECS 203-378-7 |
| NEROL 70 |
| NERYL ALCOHOL |
| cis-3,7-Dimethyl-2,6-octadien-1-ol |
| MFCD00063204 |
| Neraniol |
| 2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)- |
| cis-3,7-Dimethyl-2,6-octadien-1-ol,Nerol |
| (Z)-Nerol |
| (2Z)-3,7-Dimethylocta-2,6-dien-1-ol |
