Geraniol - CAS 106-24-1

Catalog:	BB001837
Product Name:	Geraniol
CAS:	106-24-1
Synonyms:	(2E)-3,7-dimethylocta-2,6-dien-1-ol
Application:	Anti-inflammatory, Anti-angiogenic, Anti-cell proliferative

Technical Data

IUPAC Name:	(2E)-3,7-dimethylocta-2,6-dien-1-ol
Description:	Geraniol (CAS# 106-24-1) is used in the synthesis of insect repellant. It is also used in the synthesis of Angelicoin A and Herecinone J, which inhibit collagen-induced platelet aggregation.
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-JXMROGBWSA-N
Boiling Point:	225.00 °C (EPI 4.0)
Melting Point:	-15°C
Flash Point:	108 °C (226 °F) - closed cup
Purity:	98 %
Density:	0.878 g/cm³
Solubility:	Almost insoluble in water.
Appearance:	Colorless liquid
Storage:	Store tightly sealed under inert gas in a cool, well-ventilated area.
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00002917
LogP:	2.67140
Refractive Index:	1.469 : 1.478 at 20 deg C
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Vapor Pressure:	0.03 [mmHg]

GHS Hazard Statement:	H315 (99.31%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P272, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P333+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
33301901	20210301	Pre-validation of SENS-IS assay for in vitro skin sensitization of medical devices	Toxicology in vitro : an international journal published in association with BIBRA
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

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