Nerol - CAS 106-25-2

Technical Data

IUPAC Name:	(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Description:	cis-3,7-Dimethyl-2,6-octadien-1-ol (CAS# 106-25-2) is a useful research chemical.
Molecular Weight:	154.25
Molecular Formula:	C10H18O
Canonical SMILES:	CC(=CCCC(=CCO)C)C
InChI:	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
InChI Key:	GLZPCOQZEFWAFX-YFHOEESVSA-N
Boiling Point:	225.00 °C (EPI 4.0)
Melting Point:	< -10°C
Flash Point:	98 - 101°C
Purity:	98.0 %
Density:	0.87 g/cm³
Solubility:	Insoluble in water; soluble in alcohol.
Appearance:	Colorless liquid
Storage:	Store tightly sealed under inert gas in a cool, well-ventilated area.
MDL:	MFCD00063204
LogP:	2.67140
Refractive Index:	1.467 : 1.478 at 20 deg C
Stability:	Stable under recommended storage conditions
Vapor Pressure:	0.03 [mmHg]

GHS Hazard Statement:	H315 (97.23%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P272, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
34343525	20210925	Geraniol isolated from lemon grass to mitigate doxorubicin-induced cardiotoxicity through Nrf2 and NF-κB signaling	Chemico-biological interactions
32119866	20200401	Induction of oxidative stress as a possible mechanism by which geraniol affects the proliferation of human A549 and HepG2 tumor cells	Chemico-biological interactions
31005848	20190601	Reversion of down-regulation of intestinal multidrug resistance-associated protein 2 in fructose-fed rats by geraniol and vitamin C: Potential role of inflammatory response and oxidative stress	The Journal of nutritional biochemistry
30506710	20190401	Geraniol and lupeol inhibit growth and promote apoptosis in human hepatocarcinoma cells through the MAPK signaling pathway	Journal of cellular biochemistry
30550845	20190301	Geraniol protects against lipopolysaccharide and D-galactosamine-induced fulminant hepatic failure by activating PPARγ	Microbial pathogenesis

Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	154.135765193
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.135765193
Rotatable Bond Count:	4
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9