moretenone

natural substances and extractives

2D:
3D:
CAS Number:	1812-63-1
FDA UNII:	Search
Category:	natural substances and extractives
IUPAC Name:	moretenone
InChI :	InChI=1/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-24H,1,9-18H2,2-8H3/t20-,21-,22-,23+,24+,27-,28-,29+,30+/m0/s1
Std.InChI:	InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-24H,1,9-18H2,2-8H3/t20-,21-,22-,23+,24+,27-,28-,29+,30+/m0/s1
InChIKey :	VEVKLOLYYQLRRV-UDCAXGDQBL
Std.InChIKey:	VEVKLOLYYQLRRV-UDCAXGDQSA-N
SMILES :	CC(=C)[C@@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)C
Molar Refractivity :	130.32 ± 0.3 cm3 (est)
Parachor :	1046.2 ± 6.0 cm3 (est)
Index of Refraction :	1.509 ± 0.02 (est)
Surface Tension :	33.1 ± 3.0 dyne/cm (est)
Density :	0.973 ± 0.06 g/cm3 (est)
Polarizability :	51.66 ± 0.5 10-24cm3 (est)

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
Soluble in:
	water, 7.638e-005 mg/L @ 25 °C (est)

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 moretenone usage levels up to:
	not for fragrance use.

Recommendation for moretenone 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 :11743121

National Institute of Allergy and Infectious Diseases:Data

(3R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

References:

	(3R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	11743121
Pubchem (cas):	1812-63-1

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):	HMDB35124
FooDB:	FDB013758
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components :

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):

	acacia dealbata leaf Search Trop Picture
	sapium sebiferum Search Trop Picture
	sebastiania schottiana root Search Trop Picture

Synonyms:

(3R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-

hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

Articles:

None found yet. Try the PubMed Search.

CONTENTS

EU/US Properties EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles