petitgrain heptane
isoproxen (IFF)
 
Notes:
None found
  • Azelis UK
    • Azelis UK Ltd.
      Chemical Distribution
      Azelis is a leading global distributor of speciality chemicals.
      Azelis is a leading global speciality chemicals distributor. We provide a diverse range of products and innovative services to more than 20,000 customers. Our in-depth local knowledge is supported by an international structure and value-added services including high levels of technical support and tailored solutions.
      Email: Info
      Email: Gaynor Cowan
      Voice: +44 1858 545 837
      United Kingdom+44 1858 545 837
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      Product(s):
      99475 Isoproxen
       
  • Taytonn
    • TAYTONN PTE LTD
      Supplying Asia Pacific
      We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.
      Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers.
      Email: Info
      Email: Sales
      Voice: + 65 - 6861 8113
      Fax: + 65 - 6861 8115
      Product(s):
      Isoproxen
       
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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
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Google Patents: Search
US Patents: Search
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PubMed: Search
NCBI: Search
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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
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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
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Azelis UK
Isoproxen
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
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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
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Safety in Use Information:
Category: fragrance agents
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.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
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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
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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): Search
Export Tariff Code: 2909.20
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Potential Blenders and core components note
 
For Odor
citrus
(S)-(-)-citronellalFL/FR
 citrus hystrix leaf extractFR
 citrus limon flower/leaf/stem oilFR
 citrus limon leaf extractFR
 crithmum maritimum oilFR
 dipenteneFL/FR
 lime oil distilled terpenelessFL/FR
alpha-methylene citronellalFR
 ocimene quintoxideFL/FR
 petitgrain absolute franceFL/FR
 petitgrain bergamot oilFL/FR
 petitgrain combava oilFR
 petitgrain lime oilFL/FR
 petitgrain mandarin oil replacerFL/FR
sweet petitgrain oilFL/FR
 petitgrain specialtyFR
 tetrahydromyrcenyl acetateFR
 verbena absolute franceFL/FR
floral
 bigarade oxideFR
 bois de rose fragranceFR
 bois de rose oil brazilFL/FR
 bois de rose oil replacerFR
 cilantro herb oil egyptFL/FR
 citronellyl anthranilateFL/FR
 citrus bergamia risso leaf oilFR
 dihydromyrceneFR
 ethyl ethyl anthranilateFL/FR
 geranyl tiglateFL/FR
 neroli absoluteFL/FR
 neroli extractFL/FR
 neroli fragranceFR
 neroli oilFL/FR
 neroli oil bigardeFL/FR
 neroli oil replacerFR
 orange leaf absoluteFL/FR
 orange leaf water absoluteFR
bitter orange leaf/twig oilFL/FR
bitter orangeflower water absoluteFL/FR
 petitgrain absolute moroccoFL/FR
 petitgrain bergamot oil (citrus bergamia melarosa)FR
 petitgrain bigarade oilFL/FR
 petitgrain cedrat oilFL/FR
 petitgrain concreteFR
 petitgrain essenceFL/FR
 petitgrain fragranceFR
 petitgrain grapefruit oilFL/FR
 petitgrain lemon oilFL/FR
 petitgrain lemon oil terpenelessFL/FR
 petitgrain mandarin oilFL/FR
 petitgrain mandarin oil terpenelessFL/FR
 petitgrain mandarin orange oilFR
 petitgrain oilFL/FR
clementine petitgrain oilFL/FR
 petitgrain oil fractionsFR
 petitgrain oil moroccoFL/FR
 petitgrain oil paraguayFL/FR
 petitgrain oil replacerFR
 petitgrain oil terpenelessFL/FR
 petitgrain oil terpenesFR
fruity
 butyl anthranilateFL/FR
 ethyl methyl anthranilateFL/FR
 methyl dimethyl anthranilateFL/FR
 ocimen-1-yl acetateFR
green
 agrumen aldehydeFR
 cilantro leaf oilFL/FR
 ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
 rose leaf absolute (rosa centifolia)FL/FR
herbal
6-acetoxydihydrotheaspiraneFL/FR
 acorus calamus rhizome oilFR
 calamus oil replacerFR
(R)-(+)-citronellalFL/FR
 citrus ocimenol acetateFR
 clary octenoneFR
 eucalyptus citriodora oilFR
 freesia heptanolFL/FR
 geranic oxideFL/FR
 herbal careneFR
cis-herbal cyclohexaneFR
 jambu oleoresinFL/FR
 linalyl acetateFL/FR
 saffron pyranoneFR
oswego tea specialtyFR
petitgrain
 petitgrain mandarin oil terpenesFR
pine
 dipentene terpene hydrocarbon byproductsFR
spicy
 cubeb oil CO2 extract (piper cubeba)FL/FR
 ginger oleoresin africaFL/FR
 ginger root oil cochinFL/FR
terpenic
gamma-terpineneFL/FR
waxy
 decanal dimethyl acetalFL/FR
woody
alpha-farneseneFL/FR
(E)-beta-farneseneFL/FR
 polylimoneneFL/FR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
(R)-(+)-citronellalFL/FR
(S)-(-)-citronellalFL/FR
 decanal dimethyl acetalFL/FR
 dipenteneFL/FR
 ethyl ethyl anthranilateFL/FR
 ethyl methyl anthranilateFL/FR
(E)-beta-farneseneFL/FR
 ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
 methyl dimethyl anthranilateFL/FR
bitter orange leaf/twig oilFL/FR
 polylimoneneFL/FR
camphoreous
 geranic oxideFL/FR
citrus
 cilantro leaf oilFL/FR
 freesia heptanolFL/FR
 lime oil distilled terpenelessFL/FR
 petitgrain absolute franceFL/FR
 petitgrain bergamot oilFL/FR
 petitgrain bigarade oilFL/FR
 petitgrain cedrat oilFL/FR
 petitgrain essenceFL/FR
 petitgrain grapefruit oilFL/FR
 petitgrain lemon oilFL/FR
 petitgrain lemon oil terpenelessFL/FR
 petitgrain lime oilFL/FR
 petitgrain mandarin oilFL/FR
 petitgrain mandarin oil replacerFL/FR
clementine petitgrain oilFL/FR
 petitgrain oilFL/FR
sweet petitgrain oilFL/FR
 petitgrain oil moroccoFL/FR
 petitgrain oil terpenelessFL/FR
 verbena absolute franceFL/FR
cooling
 jambu oleoresinFL/FR
floral
 bois de rose oil brazilFL/FR
 geranyl tiglateFL/FR
 linalyl acetateFL/FR
 neroli absoluteFL/FR
 neroli extractFL/FR
 neroli oilFL/FR
 neroli oil bigardeFL/FR
 orange leaf absoluteFL/FR
bitter orangeflower water absoluteFL/FR
 petitgrain absolute moroccoFL/FR
fruity
 butyl anthranilateFL/FR
 citronellyl anthranilateFL/FR
 petitgrain mandarin oil terpenelessFL/FR
green
alpha-farneseneFL/FR
2,4-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 ocimene quintoxideFL/FR
 rose leaf absolute (rosa centifolia)FL/FR
herbal
 cilantro herb oil egyptFL/FR
 petitgrain oil paraguayFL/FR
spicy
 cubeb oil CO2 extract (piper cubeba)FL/FR
 ginger oleoresin africaFL/FR
 ginger root oil cochinFL/FR
terpenic
gamma-terpineneFL/FR
 
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Potential Uses:
 amberFR
 animalFR
 bergamotFR
 citrusFR
 costusFR
 detergents 
 hay new mown hayFR
 herbalFR
 licoriceFR
 petitgrainFR
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Occurrence (nature, food, other): note
 not found in nature
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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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