Monoterpenoids

Citral

柠檬醛

PHY-NP-04214 · Natural product research catalog

Catalog number	PHY-NP-04214
CAS number	5392-40-5
Molecular formula	C₁₀H₁₆O
Molecular weight	152.237 g/mol
Chemical class	Monoterpenoids
Main reported source	ginger
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Citral is listed in the Monoterpenoids 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.

IUPAC name	(2E)-3,7-dimethylocta-2,6-dienal
SMILES	CC(=CCC/C(=C/C=O)/C)C
InChIKey	WTEVQBCEXWBHNA-JXMROGBWSA-N
Subclass / scaffold	Acyclic monoterpenoids
PubChem CID	638011

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

View additional properties & classification

Ring count	0
Aromatic rings	0
Fraction Csp³	0.5
Synthetic accessibility score	2.88
QED score	0.344
Lipinski rule violations	0
NPClassifier pathway	Terpenoids
NPClassifier superclass	Monoterpenoids
NPClassifier class	Acyclic monoterpenoids
Parent SMILES	CC(C)=CCC/C(C)=C/C=O
Parent formula	C₁₀H₁₆O
Parent molecular weight	152.237
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	ginger
Reported source families	Lamiaceae; Asteraceae; Rutaceae

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

View occurrence records & references

LOTUS / Wikidata species	ginger[9]; Cymbopogon citratus[7]; Cymbopogon flexuosus[5]; Melissa officinalis[5]; Perilla frutescens[5]; Citrus grandis[4]; pomelo[4]; Aloysia citriodora[3]; Aloysia citrodora[3]; Aloysia triphylla[3]; Mangifera indica[3]; Pimenta racemosa[3]; citron[3]; Citrus reticulata[2]; Citrus × deliciosa[2]
All reported source families	Lamiaceae[28]; Asteraceae[13]; Rutaceae[12]; Poaceae[7]; Myrtaceae[7]; Verbenaceae[6]
Genus / family records	Geranium[1]; Microcitrus[1]; Thymus[1]
LOTUS species records	125
LOTUS reference records	156
COCONUT occurrence records	Acer triflorum; Aceriphyllum rossii; Achillea millefolium; Aconitum kamtschaticum; Aconitum leucostomum; Aconitum vilmorinianum; Acorus calamus; Actaea dahurica; Actaea heracleifolia; Actaea simplex; Actinidia kolomikta; Aframomum angustifolium; Afrormosia laxiflora; Agnorhiza bolanderi; Aleuroglyphus ovatus; Alligator mississippiensis; Allium Sativum; Allium sativum; Aloysia citriodora; Aloysia citrodora; Aloysia triphylla; Alphinia galanga; Alstonia Scholaris; Alstonia scholaris; Amyris marshii; Anarsia lineatella; Anaxagorea clavata; Aniba megaphylla; Apollonias barbujana; Aquilegia ecalcarata
COCONUT organism records	383
COCONUT identifier	CNP0127332.2

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

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

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