petitgrain heptane

General Material Information

Preferred name	petitgrain heptane
Trivial Name	2-Propanol, reaction products with boron trifluoride and 5-ethylidenebicyclo[2.2.1]hept-2-ene
Short Description	isoproxen (IFF)
Formula	C12 H20 O
CAS Number	90530-04-4
ECHA Number	292-041-8
FDA UNII	Search
NMR Predictor	External link
Synonyms	bicyclo(2.2.1)heptane-2-ethylidene-6-isopropoxy 2-ethylidene-6-isopropoxybicyclo(2.2.1)heptane 6-ethylidenebicyclo[2.2.1]hept-2-yl propan-2-yl ether isoproxen (IFF) 2-propanol reaction products with boron trifluoride and 5-ethylidene bicyclo(2.2.1)hept-2-ene tricyclo-2,2,1.0(2,6)-heptone, 2-ethyl-5-isopropoxy 6-ethylidenebicyclo[2.2.1]hept-2-yl propan-2-yl ether 2-Propanol, reaction products with boron trifluoride and 5-ethylidenebicyclo[2.2.1]hept-2-ene

(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
Export Tariff Code:	2909.20

Material listed in food chemical codex	No
Molecular weight	180.2906036377
Specific gravity	@ 25 °C
Pounds per Gallon	7.506 to 7.572
Specific gravity	@ 20 °C
Pounds per Gallon	7.523 to 7.589
Refractive Index	1.462 to 1.468 @ 20 °C
Boiling Point	230 to 231°C @ 760 mm Hg
Flash Point TCC Value	73.89 °C TCC
logP (o/w)	3.41
Solubility
alcohol	Yes
water, 60.02 mg/L @ 25 °C (est)	Yes
water	No
Stability
acid cleaner	Unspecified
alcoholic lotion	Unspecified
antiperspirant	Unspecified
bleach	Unspecified
deo stick	Unspecified
detergent	Unspecified
fabric softener	Unspecified
hard surface cleaner	Unspecified
shampoo	Unspecified
soap	Unspecified

Odor Type: Herbal
herbal, citrus, licorice, petitgrain, animal, costus
Odor strength	medium
Substantivity	12 hour(s) at 100.00 %
General comment	At 100.00 %. herbal citrus licorice petitgrain animal costus
Unusual combination of herbal, citrus, licorice and petitgrain notes, modified by animal nuances of costus.	Fresh, herbal, citrus note with bergamot, petit grain, zesty, aninisic facets and costus nuances

Applications	fragrance agents
Odor purposes	Amber, Animal, Bergamot, Citrus, Costus, Hay new mown hay, Herbal, Licorice, Petitgrain
Other purposes	Detergents
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:
Not determined
Dermal Toxicity:
Not determined
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 petitgrain heptane usage levels up to:
	5.0000 % in the fragrance concentrate.

Recommendation for petitgrain heptane flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

National Institute of Allergy and Infectious Diseases:Data

6-ethylidenebicyclo[2.2.1]hept-2-yl propan-2-yl ether

Chemidplus:0090530044