EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

petitgrain heptane
isoproxen (IFF)

Sponsors

Name:6-ethylidenebicyclo[2.2.1]hept-2-yl propan-2-yl ether
CAS Number: 90530-04-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:292-041-8
Molecular Weight:180.29060000
Formula:C12 H20 O
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 99.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.90200 to 0.91000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.506 to 7.572
Specific Gravity:0.90300 to 0.91100 @ 20.00 °C.
Pounds per Gallon - est.: 7.523 to 7.589
Refractive Index:1.46200 to 1.46800 @ 20.00 °C.
Boiling Point: 230.00 to 231.00 °C. @ 760.00 mm Hg
Flash Point: 165.00 °F. TCC ( 73.89 °C. )
logP (o/w): 3.410
Soluble in:
 alcohol
 water, 60.02 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 acid cleaner
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium
Substantivity:12 hour(s) at 100.00 %
herbal citrus licorice petitgrain animal costus
Odor Description:at 100.00 %. herbal citrus licorice petitgrain animal costus
Odor and/or flavor descriptions from others (if found).
IFF
Isoproxen
Odor Description:Fresh, herbal, citrus note with bergamot, petit grain, zesty, aninisic facets and costus nuances
Unusual combination of herbal, citrus, licorice and petitgrain notes, modified by animal nuances of costus.
Taytonn
Isoproxen
Odor Description:Anise/ Anisic/ Anis, Citrus, Herbal/ Herbaceous, Licorice, Petitgrain
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Azelis UK
Isoproxen
Services
IFF
Isoproxen
Odor: Fresh, herbal, citrus note with bergamot, petit grain, zesty, aninisic facets and costus nuances
Use: Unusual combination of herbal, citrus, licorice and petitgrain notes, modified by animal nuances of costus.
Taytonn
Isoproxen
Odor: Anise/ Anisic/ Anis, Citrus, Herbal/ Herbaceous, Licorice, Petitgrain
 
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: fragrance agents
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.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
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
 
References:
 6-ethylidenebicyclo[2.2.1]hept-2-yl propan-2-yl ether
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:90530-04-4
Pubchem (sid):135273688
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
citrus
citrus hystrix leaf extract
FR
citrus limon flower/leaf/stem oil
FR
citrus limon leaf extract
FR
crithmum maritimum oil
FR
alpha-
methylene citronellal
FR
petitgrain combava oil
FR
petitgrain specialty
FR
tetrahydromyrcenyl acetate
FR
floral
bigarade oxide
FR
citrus bergamia risso leaf oil
FR
dihydromyrcene
FR
orange leaf water absolute
FR
petitgrain bergamot oil (citrus bergamia melarosa)
FR
petitgrain concrete
FR
petitgrain fragrance
FR
petitgrain mandarin orange oil
FR
petitgrain oil fractions
FR
petitgrain oil replacer
FR
petitgrain oil terpenes
FR
fruity
ocimen-1-yl acetate
FR
green
agrumen aldehyde
FR
herbal
acorus calamus rhizome oil
FR
citrus ocimenol acetate
FR
clary octenone
FR
eucalyptus citriodora oil
FR
herbal carene
FR
cis-
herbal cyclohexane
FR
saffron pyranone
FR
oswego
tea specialty
FR
petitgrain
petitgrain mandarin oil terpenes
FR
pine
dipentene terpene hydrocarbon byproducts
FR
For Flavor
 
Potential Uses:
FRamber
FRanimal
FRbergamot
FRcitrus
FLcostus
 detergents
FRhay new mown hay foin coupe
FRherbal
FRlicorice
FL/FRpetitgrain
 
Occurrence (nature, food, other):note
 not found in nature
 
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)
 petitgrain heptane
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
 

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