alpha-calacorene

1,2-dihydro-4,7-dimethyl-1-(1-methyl ethyl) naphthalene

CAS: 21391-99-1 C15 H20 MW: 200.32440000

Identification

Name	alpha-calacorene
IUPAC	4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthalene
CAS Number	21391-99-1
FDA UNII	Search
Molecular Formula	C15 H20
Molecular Weight	200.32440000

Regulatory

Physical Properties

Appearance	colorless to pale yellow clear liquid (est)
Assay	96.00 to 100.00
Food Chemicals Codex Listed	No
Boiling Point	289.00 to 290.00 °C. @ 760.00 mm Hg
Vapor Pressure	0.004000 mmHg @ 25.00 °C. (est)
Flash Point	259.00 °F. TCC ( 126.11 °C. )
logP (o/w)	6.218 (est)
Soluble in	alcohol
Insoluble in	water

Organoleptic Properties

Odor Description

at 100.00 %.

Safety Information

Oral/Parenteral Toxicity	Not determined
Dermal Toxicity	Not determined
Inhalation Toxicity	Not determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Category	natural substances and extractives
Recommendation for alpha-calacorene usage levels up to	not for fragrance use.
Recommendation for alpha-calacorene flavor usage levels up to	not for flavor use.

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21391-99-1 Naphthalene,1,2-dihydro-4,7-dimethyl-1-

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Potential Uses

None Found

Natural Occurrence

baccharis coridifolia oil argentina @ 0.20% Data calamus leaf oil @ 0.30% Data calamus rhizome oil @ 1.30% Data calamus root oil @ 0.68% Data cascarilla bark oil @ 0.96% Data cedarwood oil lebanon @ >0.10% Data cedrela wood oil @ 0.12% Data cistus oil @ 0.6% Data clove bud clove fruit clove leaf geranium rose-scented oil (pelargonium spp.) cuba @ 0.30% Data guava fruit oil reunion @ 0.30% Data guava leaf oil cuba @ 0.10% Data hop labdanum oil @ 0.31% Data laurel leaf oil turkey @ 0.10% Data mangrove bark red oil cuba @ 0.10% Data pennyroyal oil cuba @ 0.09% Data pepper tree berry oil @ 0.26% Data phoebe oil brazil @ 1.06% Data pimenta leaf oil @ 1.23% Data pine PMC pteronia oil @ 0.70% Data rosemary plant salvia plebeia oil @ 2.75% Data salvia sclarea seed oil tunisia @ 0.10% Data sugandha kokila berry oil @ 0.10% Data vetiver

Synonyms

.alpha.- calacorene a- calacorene 1,2- dihydro-4,7-dimethyl-1-(1-methyl ethyl) naphthalene 3,4- dihydrocadalene 4,7- dimethyl-1-propan-2-yl-1,2-dihydronaphthalene PubMed: Essential oils from Schinus species of northwest Argentina: Composition and antifungal activity. PubMed: Essential oils and crude extracts from Chrysanthemum trifurcatum leaves, stems and roots: chemical composition and antibacterial activity. PubMed: Characterization of novel single-variety oxygenated sesquiterpenoid hop oil fractions via headspace solid-phase microextraction and gas chromatography-mass spectrometry/olfactometry. PubMed: Chemical composition of the essential oil of Lepidagathis fasciculata from Bondla forest of Goa, India. PubMed: Optimisation of supercritical fluid extraction of essential oil components of Diplotaenia cachrydifolia: Box-Behnken design. PubMed: Antimicrobial Activities of Essential Oil and Methanol Extract of Teucrium montanum. PubMed: The absolute configuration of (-)-3-hydroxy-alpha-calacorene. PubMed: Antiinflammatory constituents from Heterotheca inuloides.