plum crotonate

General Material Information

Preferred name	plum crotonate
Trivial Name	[1,1′-Bicyclopentyl]-2-yl 2-butenoate
Short Description	pyroprunat (Symrise)
Formula	C14 H22 O2
CAS Number	68039-73-6
ECHA Number	268-280-9
FDA UNII	Search
Nikkaji Number	J288.973K
xLogP3-AA	4.30 (est)
NMR Predictor	External link
Synonyms	(1,1-bicyclopentyl)-2-yl-2-butenoate bicyclopentylyl butenoate but-2-en acid 1,1-bi(cyclopentyl)-2-yl ester 2-cyclopentyl cyclopentyl crotonate (2-cyclopentylcyclopentyl) (E)-but-2-enoate pyroprunat (Symrise) (2-cyclopentylcyclopentyl) (E)-but-2-enoate 2-Butenoic acid, [1,1′-bicyclopentyl]-2-yl ester [1,1′-Bicyclopentyl]-2-yl 2-butenoate Pyroprunat Pyproprunat

(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

Augustus Oils	Lluch Essence
Penta International	Symrise
The Perfumers Apprentice	Vigon International
Augustus Oils Ltd	Lluch Essence S.L.
Penta International Corporation	Symrise AG

Material listed in food chemical codex	No
Molecular weight	222.32774353027
Boiling Point	298 to 299°C @ 760 mm Hg
Acid Value	1 max KOH/g
Vapor Pressure	0.001 mmHg @ 25 °C
Flash Point TCC Value	141.11 °C TCC
logP (o/w)	4.799 est
Solubility
alcohol	Yes
paraffin oil	Yes
water, 1.433 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Fruity
fresh, fruity, plum, peach, tropical, floral, rose, violet
Odor strength	medium
Substantivity	64 hour(s) at 100.00 %
General comment	At 100.00 %. fresh fruity plum peach tropical floral rose violet
Stable in: body lotion (good), shampoo (good), soap (good), ap roll-on (good), powder (good), cleaner citric (good), cleaner apc (very good), bleach (poor).	A fruity-fresh note reminiscent of plum and peach highlighted by floral shades of rose and violet

Applications	fragrance agents
Odor purposes	Apple, Floral, Frangipani plumeria, Freesia, Linden flower, Peach, Plum
Flavoring purposes	Fruit tropical fruit
Cosmetic purposes	Perfuming agents

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.

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.
Human Experience:
Irritant effect on skin: 5%
Oral/Parenteral Toxicity:
oral-rat LD50 > 2000 mg/kg Stable in: body lotion (good), shampoo (good), soap (good), ap roll-on (good), powder (good), cleaner citric (good), cleaner apc (very good), bleach (poor).
Dermal Toxicity:
skin-rat LD50 Method:OECD 402 Stable in: body lotion (good), shampoo (good), soap (good), ap roll-on (good), powder (good), cleaner citric (good), cleaner apc (very good), bleach (poor).
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 plum crotonate usage levels up to:
	5.0000 % in the fragrance concentrate.

Recommendation for plum crotonate flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):68039-73-6

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6437291

National Institute of Allergy and Infectious Diseases:Data

(2-cyclopentylcyclopentyl) (E)-but-2-enoate

Chemidplus:0068039736