Nerolidol - CAS 7212-44-4

Catalog:	BB034545
Product Name:	Nerolidol
CAS:	7212-44-4
Synonyms:	1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-; 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol; (±)-Nerolidol; FCI 119b; Nerodilol; Nerolidol (Mixture of cis and trans)

Technical Data

Related CAS:	40716-66-3 (6E-isomer) 35944-21-9 (Deleted CAS)
IUPAC Name:	3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Description:	Nerolidol is a farnesane sesquiterpenoid present in various flowers and plants with a floral odor. It is used as a flavoring agent, a cosmetic, a pheromone, a neuroprotective agent, an antifungal agent, an anti-inflammatory agent, an antihypertensive agent, an antioxidant, a volatile oil component, an insect attractant, and a herbicide.
Molecular Weight:	222.37
Molecular Formula:	C15H26O
Canonical SMILES:	CC(=CCCC(=CCCC(C)(C=C)O)C)C
InChI:	InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3
InChI Key:	FQTLCLSUCSAZDY-UHFFFAOYSA-N
Boiling Point:	75-76°C at 0.1 Torr
Melting Point:	<25°C
Flash Point:	96°C
Purity:	≥95%
Density:	0.8739 g/cm³
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	Colorless to straw-color liquid
Storage:	Store at 2-8°C
MDL:	MFCD00008911
LogP:	4.39630
Quality Standard:	Enterprise Standard
Refractive Index:	1.478 : 1.483 at 20 deg C
Stability:	Stable at room temperature in closed containers under normal storage and handling conditions.

GHS Hazard Statement:	H315 (13.97%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
CN-112266823-A	Essence for soap	20200911
CN-111440662-A	Method for preparing bitter orange essential oil, hydrolat and fruit tea	20200402
CN-111534379-A	Method and equipment for extracting essential oil from citrus aurantium flowers, leaves and fruits	20200402
WO-2021195626-A1	The use of molecularly imprinted polymers for the rapid detection of emerging viral outbreaks	20200327

PMID	Publication Date	Title	Journal
33212213	20210101	Nerolidol improves cardiac function in spontaneously hypertensive rats by inhibiting cardiac inflammation and remodelling associated TLR4/ NF-κB signalling cascade	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
29746128	20180525	Identification, Functional Characterization, and Seasonal Expression Patterns of Five Sesquiterpene Synthases in Liquidambar formosana	Journal of natural products
29445768	20180101	HsTRPA of the Red Imported Fire Ant, Solenopsis invicta, Functions as a Nocisensor and Uncovers the Evolutionary Plasticity of HsTRPA Channels	eNeuro
24399794	20140124	Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism	Chembiochem : a European journal of chemical biology
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	222.198365449
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.198365449
Rotatable Bond Count:	7
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6