rhubarb pyran

General Material Information

Preferred name	rhubarb pyran
Trivial Name	6-Ethylideneoctahydro-5,8-methano-2H-1-benzopyran
Short Description	rhuboflor
Formula	C12 H18 O
CAS Number	93939-86-7
ECHA Number	300-376-9
FDA UNII	Search
xLogP3-AA	2.10 (est)
NMR Predictor	External link
Synonyms	6-ethylidene octahydro-5,8-methano-2H-benzo-1-pyran 9-ethylidene-3-oxatrcyclo(6.2.1.0)undecane (9Z)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane 6-ethylideneoctahydro-5,8-methano-2H-benzo-1-pyran 5,8-methano-2H-1-benzopyran, 6-ethylideneoctahydro- rhubaflor (Firmenich) rhuboflor (9Z)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane 5,8-Methano-2H-1-benzopyran, 6-ethylideneoctahydro- 6-Ethylideneoctahydro-5,8-methano-2H-1-benzopyran

(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
ChemSpider:	View

Azelis UK	Ernesto Ventós
Firmenich	Penta International
Azelis UK Ltd.	Firmenich Inc.
Penta International Corporation	Ernesto Ventós S.A.

Material listed in food chemical codex	No
Molecular weight	178.27465820312
Boiling Point	257 to 259°C @ 760 mm Hg
Vapor Pressure	0.021 mmHg @ 25 °C
Vapor Density	6.2
Flash Point TCC Value	93.33 °C TCC
logP (o/w)	3.143 est
Solubility
alcohol	Yes
water, 112 mg/L @ 25 °C (est)	Yes
Stability
APC: traces - 0.5%	Unspecified
candle: traces - 1%	Unspecified
detergent: traces - 0.2%	Unspecified
fine fragrances: traces - 0.1%	Unspecified
shampoo: traces - 0.2%	Unspecified
shower gel: traces - 0.2%	Unspecified
soap: traces - 0.2%	Unspecified
softener: traces - 1%	Unspecified

Odor Type: Fruity
floral, fruity, rhubarb, costus, woody, rooty, herbal, berry
Odor strength	medium , recommend smelling in a 10.00 % solution or less
Substantivity	48 hour(s) at 100.00 %
Luebke, William tgsc, (1985)	At 100.00 %. floral fruity rhubarb costus woody rooty
Surprising effects can be achieved at very low dosages. It blends well with rose, orris and orange flower notes and with the green herbal and lavender themes.	Powerful, green, fruity berry, floral and herbal note. The undertone recalls

Applications	fragrance agents
Odor purposes	Carrot seed, Fruit, Green, Hay new mown hay, Herbal, Lavender, Moss, Orange blossom, Orris, Root, Rose, Woody
Flavoring purposes	Carrot seed
Cosmetic purposes	Perfuming agents


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:
oral-rat LD50 > 5000 mg/kg Surprising effects can be achieved at very low dosages. It blends well with rose, orris and orange flower notes and with the green herbal and lavender themes.
Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg Surprising effects can be achieved at very low dosages. It blends well with rose, orris and orange flower notes and with the green herbal and lavender themes.
Inhalation Toxicity:
Not determined

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for rhubarb pyran usage levels up to:
	5.0000 % in the fragrance concentrate.

Recommendation for rhubarb pyran flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):93939-86-7

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6441164

National Institute of Allergy and Infectious Diseases:Data

(9Z)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane

Chemidplus:0093939867