Monoterpenoids

P-Cymene

对伞花烃

PHY-NP-04312 · Natural product research catalog

Catalog number	PHY-NP-04312
CAS number	99-87-6
Molecular formula	C₁₀H₁₄
Molecular weight	134.222 g/mol
Chemical class	Monoterpenoids
Main reported source	Melaleuca alternifolia
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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100 mg	Request quote	To be confirmed	Confirm in quotation

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P-Cymene 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	1-methyl-4-propan-2-ylbenzene
SMILES	CC1=CC=C(C=C1)C(C)C
InChIKey	HFPZCAJZSCWRBC-UHFFFAOYSA-N
Subclass / scaffold	Menthane monoterpenoids
PubChem CID	7463

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

View additional properties & classification

Ring count	1
Aromatic rings	1
Fraction Csp³	0.4
Synthetic accessibility score	1.25
QED score	0.553
Lipinski rule violations	0
NPClassifier pathway	Terpenoids
NPClassifier superclass	Monoterpenoids
NPClassifier class	Menthane monoterpenoids
Parent SMILES	Cc1ccc(C(C)C)cc1
Parent formula	C₁₀H₁₄
Parent molecular weight	134.222
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	Melaleuca alternifolia
Reported source families	Lamiaceae; Asteraceae; Myrtaceae

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

View occurrence records & references

LOTUS / Wikidata species	Melaleuca alternifolia[14]; Origanum vulgare[10]; Thymus vulgaris[8]; Anethum graveolens[7]; Apium graveolens[7]; Eucalyptus camaldulensis[7]; Foeniculum vulgare[7]; Origanum syriacum[7]; Salvia officinalis[7]; Vitex agnus-castus[7]; Cinnamomum camphora[6]; Lippia multiflora[6]; Satureja thymbra[6]; Thymbra capitata[6]; basil[6]
All reported source families	Lamiaceae[190]; Asteraceae[133]; Myrtaceae[93]; Apiaceae[52]; Rutaceae[27]; Zingiberaceae[24]
Genus / family records	Heterotropa[3]; Thymus[2]; Aristolochiaceae[1]; Artemisia[1]; Asteraceae[1]; Cyperaceae[1]; Eucalyptus[1]; Geranium[1]
LOTUS species records	729
LOTUS reference records	771
COCONUT occurrence records	Abies sachalinensis; Abrus pulchellus; Aceriphyllum rossii; Achillea Millefolium; Achillea abrotanoides; Achillea ageratum; Achillea arabica; Achillea asiatica; Achillea biebersteinii; Achillea crithmifolia; Achillea cuneatiloba; Achillea erba-rotta; Achillea grandifolia; Achillea millefolium; Achillea moschata; Achillea nana; Achillea nobilis; Achillea pannonica; Achillea ptarmica; Achillea wilhelmsii; Achyrospermum africanum; Acmella ciliata; Aconitum episcopale; Aconitum kamtschaticum; Aconitum leucostomum; Aconitum vilmorinianum; Acorus calamus; Acorus calanus L.; Acorus gramineus; Actinidia chinensis
COCONUT organism records	1336
COCONUT identifier	CNP0145577.0

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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