CAS 106-25-2|cis-3,7-Dimethyl-2,6-octadien-1-ol

Introduction:Basic information about CAS 106-25-2|cis-3,7-Dimethyl-2,6-octadien-1-ol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Namecis-3,7-Dimethyl-2,6-octadien-1-ol
CAS Number106-25-2Molecular Weight154.249
Density0.9±0.1 g/cm3Boiling Point229.5±0.0 °C at 760 mmHg
Molecular FormulaC10H18OMelting Point< -10ºC
MSDSChineseUSAFlash Point76.7±0.0 °C
Symbol
GHS07
Signal WordWarning

Names

Namenerol
SynonymMore Synonyms

cis-3,7-Dimethyl-2,6-octadien-1-ol BiologicalActivity

DescriptionNerol 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 CatalogSignaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>Fungal
In VitroNerol 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

Density0.9±0.1 g/cm3
Boiling Point229.5±0.0 °C at 760 mmHg
Melting Point< -10ºC
Molecular FormulaC10H18O
Molecular Weight154.249
Flash Point76.7±0.0 °C
Exact Mass154.135757
PSA20.23000
LogP3.28
Vapour Pressure0.0±1.0 mmHg at 25°C
Index of Refraction1.471
InChIKeyGLZPCOQZEFWAFX-YFHOEESVSA-N
SMILESCC(C)=CCCC(C)=CCO

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RG5840000
CHEMICAL NAME :
2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-
CAS REGISTRY NUMBER :
106-25-2
LAST UPDATED :
199709
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C10-H18-O
MOLECULAR WEIGHT :
154.28
WISWESSER LINE NOTATION :
Q2UY1&3UY1&1 -C

HEALTH HAZARD DATA

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 WordWarning
Hazard StatementsH315-H319-H335
Precautionary StatementsP261-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 Phrases26-36
RIDADRNONH for all modes of transport
WGK Germany2
RTECSRG5840000
HS Code2907299090

Customs

HS Code2905221000
Summary2905221000. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

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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
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