β-citronellol

Compound Structure:

Synonyms:

Citronellol ;106-22-9 ;3,7-Dimethyloct-6-en-1-ol; beta-Citronellol ;DL-Citronellol

Compound ID:

NMPC-1647

PubChem ID:

8842

Molecular Formula:

C10H20O

Canonical SMILES:

CC(CCC=C(C)C)CCO

InChIKey:

QMVPMAAFGQKVCJ-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H315 (95.84%): Causes skin irritation [Warning Skin corrosion/irritation]

• H317 (99.64%): May cause an allergic skin reaction [Warning Sensitization, Skin]

• H319 (65.64%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H411 (15.58%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	156.26 g/mol
XLogP3-AA	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	156.151415257 g/mol
Monoisotopic Mass	156.151415257 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	112
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	colourless oily liquid; rose-like aroma
Boiling Point	224 °C
Melting Point	<-20 °C
Density	0.850-0.860
Solubility	Insoluble in glycerol; slightly soluble in water; soluble in most fixed oils, propylene glycol
Vapor Pressure	0.04 [mmHg]

Source:PubChem

Source Species:

Bryophyllum pinnatum
Phyllanthus muellerianus
Cymbopogon citratus
Eremomastax speciosa
Eucalyptus maculata
Napoleonaea imperialis
Eucalyptus cloeziana
Pentaclethra macrophylla
Plumeria alba
Tecoma stans

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