viridiflorene, 21747-46-6

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CODE110582 CODE110582
Product(s):
21747-46-6 (+)-LEDENE

Name:	(1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
CAS Number:	21747-46-6	3D/inchi
Other(deleted CASRN):	40520-60-3
ECHA EINECS - REACH Pre-Reg:	244-565-3
FDA UNII:	236ZZ41F70
Nikkaji Web:	J15.850J
Beilstein Number:	2554786
MDL:	MFCD00042613
XlogP3-AA:	4.00 (est)
Molecular Weight:	204.35628000
Formula:	C15 H24
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:

Appearance:	colorless clear liquid (est)
Assay:	95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed:	No
Specific Gravity:	0.92700 @ 20.00 °C.
Refractive Index:	1.50400 @ 20.00 °C.
Boiling Point:	268.00 to 270.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.016000 mmHg @ 25.00 °C. (est)
Flash Point:	214.00 °F. TCC ( 101.11 °C. )
logP (o/w):	6.447 (est)
Soluble in:
	alcohol
	water, 0.06382 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

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

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

(+)-LEDENE

ExtraSynthese

For experimental / research use only.

(+)-Ledene

Santa Cruz Biotechnology

For experimental / research use only.

(+)-Ledene

Sigma-Aldrich: Aldrich

For experimental / research use only.

(+)-Ledene purum, ≥95.0% (sum of enantiomers, GC)

sds

Safety Information:

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes.

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 viridiflorene usage levels up to:
	not for fragrance use.

Recommendation for viridiflorene 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 :10910653

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

(1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene

Chemidplus:0021747466

References:

	(1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	10910653
Pubchem (sid):	135046458
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
CHEBI:	View
KEGG (GenomeNet):	C20162
HMDB (The Human Metabolome Database):	Search
FooDB:	FDB007059
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

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Synonyms:

1H-	cycloprop[e]azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,7R,7aS,7bR)-
	leden
	ledene
(+)-	ledene
(1aS-(1aalpha,7alpha, 7abeta,7balpha))- 1a,2,3,5,6,7,7a,7b-	octahydro-1,1,4,7-tetramethyl-1H-cycloprop(e)azulene
(1aR,7R,7aS,7bR)- 1,1,4,7-	tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa(e)azulene
(1aR,7R,7aS,7bR)-1,1,4,7-	tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulen
(1aR,7R,7aS,7bR)-1,1,4,7-	tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene