(Z)-calamenene, 72937-55-4

Supplier Sponsors

Name:	(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CAS Number:	72937-55-4	3D/inchi
FDA UNII:	5C6W67N6XM
Nikkaji Web:	J12.842B
XlogP3-AA:	5.10 (est)
Molecular Weight:	202.34034000
Formula:	C15 H22
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	284.99 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	0.005000 mmHg @ 25.00 °C. (est)
Flash Point:	258.00 °F. TCC ( 125.40 °C. ) (est)
logP (o/w):	6.227 (est)
Soluble in:
	alcohol
	water, 0.1962 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

None found

Safety Information:


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
natural substances and extractives
Recommendation for (Z)-calamenene usage levels up to:
	not for fragrance use.

Recommendation for (Z)-calamenene flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6429077

National Institute of Allergy and Infectious Diseases:Data

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

Chemidplus:0072937554

References:

	(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	6429077
Pubchem (sid):	10545127
Pherobase:	View

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

	bay leaf oil @ <0.01-0.07% Data GC Search Trop Picture
	bogwood Search Trop Picture
	brachylaena hutchinsii Search Trop Picture
	cedrela odorata Search Trop Picture
	cistus twig/leaf oil @ 0.5% Data GC Search Trop Picture
	cymbopogon laniger extract @ 1.90% Data GC Search Trop Picture
	eugenia brasiliensis Search Trop Picture
	geranium rose-scented oil cuba @ 0.20% Data GC Search PMC Picture
	mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.20% Data GC Search Trop Picture
	origanum vulgare ssp. vulgare oil himalaya @ 2.60% Data GC Search Trop Picture
	rosemary oil egypt @ 0.13% Data GC Search Trop Picture
	sclerotinia minor Search Trop Picture
	sclerotinia sclerotiorum Search Trop Picture
	sclerotium rolfsii Search Trop Picture
	tansy oil (tanacetum annum l.) marocco @ 0.30% Data GC Search Trop Picture
	thyme oil wild or creeping france @ 0.33% Data GC Search Trop Picture
	vassoura oil @ 1.00% Data GC Search Trop Picture

Synonyms:

(-)-	calamenene
(-)-cis-	calamenene
1S-cis-	calamenene
cis-	calamenene
L-	calamenene
laevo-	calamenene
(1S-cis)-1,6-	dimethyl-4-(1-methylethyl)-1,2,3,4-tetrahydronaphthalene
(1S,4S)-1,6-	dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
(1S,4S)-1,6-	dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
	naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-cis)-
	naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S,4S)-
(1S,4S)-4-iso	propyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

Articles:

PubMed:Chemical composition, antimicrobial properties and toxicity evaluation of the essential oil of Cupressus lusitanica Mill. leaves from Cameroon.

PubMed:Phytochemical analysis and cytotoxicity towards multidrug-resistant leukemia cells of essential oils derived from Lebanese medicinal plants.

PubMed:Composition of the essential oil of Pogostemon travancoricus var. travancoricus.

PubMed:Chemical composition of the essential oils of the berries of Juniperus oxycedrus L. ssp. rufescens (L. K.) and Juniperus oxycedrus L. ssp. macrocarpa (S. & m.) Ball. and their antioxidant activities.

PubMed:Volatile compounds and bioactivity of Eremurus spectabilis (Ciris), a Turkish wild edible vegetable.

PubMed:Nepetalactone content and antibacterial activity of the essential oils from different parts of Nepeta persica.

PubMed:Essential oil composition of Hypericum triquetrifolium Turra. aerial parts.

PubMed:Chemical composition and antidermatophytic properties of volatile fractions of hexanic extract from leaves of Cupressus lusitanica Mill. from Cameroon.

PubMed:Volatile compounds emitted by sclerotia of Sclerotinia minor, Sclerotinia sclerotiorum, and Sclerotium rolfsii.

PubMed:The stereochemistry of ledol from Renealmia chrysotrycha: an NMR study.

Notes:

None found

Top of Page | Home

(Z)-calamenene naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S,4S)-

Supplier Sponsors

Articles:

(Z)-calamenene
naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S,4S)-