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Aliphatics

Behenyl Alcohol

二十二烷醇

PHY-NP-12669 · Natural product research catalog

Catalog numberPHY-NP-12669
CAS number661-19-8
Molecular formulaC22H46O
Molecular weight326.609 g/mol
Chemical classAliphatics
Main reported sourceAthanasia linifolia
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Behenyl Alcohol

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Product information

Behenyl Alcohol is listed in the Aliphatics section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC namedocosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCO
InChIKeyNOPFSRXAKWQILS-UHFFFAOYSA-N
Subclass / scaffoldFatty acyls:Fatty alcohols
PubChem CID12620

Computed properties

Exact mass (Da)326.3549Predicted LogP7.8006
Predicted TPSA (Ų)20.23H-bond donors1
H-bond acceptors1Rotatable bonds20

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count0
Aromatic rings0
Fraction Csp³1.0
Synthetic accessibility score1.48
QED score0.226
Lipinski rule violations1
NPClassifier pathwayFatty acids
NPClassifier superclassFatty acyls
NPClassifier classFatty alcohols
Parent SMILESCCCCCCCCCCCCCCCCCCCCCCO
Parent formulaC22H46O
Parent molecular weight326.609
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceAthanasia linifolia
Reported source familiesPinaceae; Rosaceae; Brassicaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesAthanasia linifolia[2]; Larix sibirica[2]; Prunus africana[2]; Arabidopsis thaliana[1]; Brassica oleracea[1]; Brassica rapa[1]; Crataegus monogyna[1]; Cryptolepis nigrescens[1]; Eucalyptus risdoni[1]; Eucalyptus risdonii[1]; Euphorbia pseudocactus[1]; Hamamelis virginiana[1]; Hibiscus cannabinus[1]; Hypericum laricifolium[1]; Juniperus brevifolia[1]
All reported source familiesPinaceae[3]; Rosaceae[3]; Brassicaceae[3]; Solanaceae[3]; Salicaceae[3]; Myrtaceae[2]
Genus / family recordsBoraginaceae[1]
LOTUS species records30
LOTUS reference records29
COCONUT occurrence records'prosuberites' laughlini; Aconitum turczaninowii; Adiantum caudatum; Arabidopsis thaliana; Asphodeline lutea; Athanasia linifolia; Boraginaceae; Brassica oleracea; Brassica rapa; Brunfelsia grandiflora; Bryum rutilans; Crataegus monogyna; Crocus sativus; Cryptolepis nigrescens; Diploschistes cretaceus; Eranthis cilicica; Eucalyptus globulus; Eucalyptus risdoni; Eucalyptus risdonii; Euphorbia pseudocactus; Hamamelis virginiana; Hedysarum multijugum; Hibiscus cannabinus; Hypericum laricifolium; Juniperus brevifolia; Larix gmelinii; Larix sibirica; Leptospermum scoparium; Lithodora fruticosa; Mandragora autumnalis
COCONUT organism records53
COCONUT identifierCNP0175691.0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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