octahydrocoumarin
bicyclononalactone (IFF)
Notes:
Coumarin replacer.
  • Azelis
    • Azelis UK Life Sciences
      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.
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      Product(s):
      BICYCLONONA LACTONE
       
  • Indukern F&F
  • Lluch Essence
    • Lluch Essence S.L.
      A family company dedicated to sales and distribution
      Flexibility, availability, price and quality.
      Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world.
      Email: Info
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      Product(s):
      OCTAHYDROCOUMARIN
       
  • Pell Wall Perfumes
    • Pell Wall Perfumes
      Hand-made fragrances
      Pell Wall maintains a broad palette of ingredients & in order to keep stocks fresh & the options wide we also sell from our own stock.
      Pell Wall was founded by perfumer Chris Bartlett to provide exclusive hand-made fragrances to a select few people who love them. All our products are created using fine quality ingredients, many of which we also offer for sale to other perfumers and enthusiasts. Pell Wall make fragrances for men, for women and for the home. If you’re looking for something even more exclusive our bespoke fragrance design service could be what you’re looking for: we design custom fragrances for individuals, other perfume brands, hotels, corporations and organisations.
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      Product(s):
      Bicyclononalactone
      Also known as octahydrocoumarin, this IFF product is described by them as: “Very useful in preparing coumarin alternatives. More stable than coumarin. It also has a very good Tonka characteristic. Almond, Vanila, Coumarin, hay, coconut note”. Also easier to handle because it’s liquid rather than the crystals of coumarin.
       
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
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      US Fax: (973) 740-1839
      Product(s):
      15-05500 OCTAHYDROCOUMARIN, Kosher
       
  • 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
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      Product(s):
      Bicyclononalactone
       
  • The John D. Walsh Company
    • The John D. Walsh Company, Inc
      Suppliers Since 1942
      Supplying the fragrance and flavor industry with high quality products.
      The John D. Walsh Company, Inc. has evolved from its beginnings as an agent/broker into a distributor of essential oils, aroma chemicals, concretes and absolutes. We currently represent the following companies, as their North American distributor: Destilerias Munoz Galvez, S.A. International Flavors & Fragrances PFW Aroma Chemicals B.V. Innospec Widnes Limited Hydrodiffusion de Guatemala, S. A. DSM Nutritional Products The John D. Walsh Company, Inc. is proud to be a founding member of IFEAT, an active member of IFRA, North America, and a corporate sponsor of the WFFC.
      Email: Information
      Email: Sales
      Email: Firmenich Flavor inquiries
      Voice: 973-962-1400
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      Firmenich Flavor Phone:973-962-1888
      Firmenich Flavor Fax:973-962-1898
      History
      Product(s):
      Bicyclononalactone
      SDS
       
  • The Lermond Company
    • The Lermond Company
      Your Sourcing Resource
      The Lermond family has been sourcing raw materials for the flavor and fragrance industry for nearly 7 decades.
      The Lermond Company is a women-owned distributor of raw materials primarily servicing the flavor and fragrance industry. For three generations, members of the Lermond family have been integral sourcing partners for the North American flavor and fragrance industry. We supply high quality essential oils, aroma chemicals, absolutes, concretes, resinoids and floral waters from around the world to the global industry.
      Email: Info
      Email: Tara
      Email: Erica
      Voice: 201-896-3300
      Fax: 201-623-2910
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      Product(s):
      Cyclohexyl Lactone
       
  • Ernesto Ventós
 
Synonyms   Articles   Notes   Search
3,4,4a,5,6,7,8,8a-octahydrochromen-2-one (Click)
CAS Number: 4430-31-3
ECHA EINECS - REACH Pre-Reg: 224-623-4
FDA UNII: H6VNF31DVW
Nikkaji Web: J38.333C
MDL: MFCD00221714
CoE Number: 13161
XlogP3-AA: 1.90 (est)
Molecular Weight: 154.20898000
Formula: C9 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: CASrn in Register does not specify stereoisomers. Mixture of optical isomers (diastereoisomers) (EFFA, 2010a). Composition of stereoisomeric mixture to be specified.
Category: flavor and 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
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1166  octahydrocoumarin
Flavis Number: 13.161 (Old)
DG SANTE Food Flavourings: 13.161  octahydrocoumarin
FEMA Number: 3791  octahydrocoumarin
FDA Mainterm: OCTAHYDROCOUMARIN
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 99.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 1.09200 to 1.09800 @  25.00 °C.
Pounds per Gallon - (est).: 9.087 to  9.136
Refractive Index: 1.48400 to 1.49900 @  20.00 °C.
Boiling Point: 144.00 to  146.00 °C. @ 16.00 mm Hg
Boiling Point: 293.00 to  294.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.006000 mm/Hg @ 25.00 °C. (est)
Flash Point: 305.00 °F. TCC ( 151.67 °C. )
logP (o/w): 2.520
Shelf Life: 36.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.
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Organoleptic Properties:
Odor Type: tonka
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 sweet  herbal  coumarinic  tonka  woody  
Odor Description:
at 10.00 % in dipropylene glycol. 
sweet herbal coumarin tonka woody
Luebke, William tgsc, (1987)
 sweet  creamy  lactonic  coconut  coumarinic  milky  creamy  vanilla  
Odor Description:
at 1.00 %.  
Sweet, creamy, lactonic, coconut, coumarin, with milky and creamy vanilla nuances
Mosciano, Gerard P&F 26, No. 3, 80, (2001)
 lactonic  coconut  creamy  sweet  dairy  vanilla  coumarinic  
Taste Description:
at 5.00 - 10.00 ppm. 
Lactonic, coconut, creamy, sweet, with dairy vanilla and coumarin nuances
Mosciano, Gerard P&F 26, No. 3, 80, (2001)
Substantivity: 400 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Azelis
BICYCLONONA LACTONE
Services
Creatingperfume.com
Bicyclononalactone (IFF)
Odor: Sweet aromatic, lactonic, milky, coconut, coumarin like, sharp, fatty, fruity, tonka, woody,creamy vanilla nuances
Ernesto Ventós
BICYCLONONALACTONE IFF
Odor: SWEET,NUTTY, TONKA
IFF
Bicyclononalactone
Odor: Very useful in preparing coumarin alternatives. More stable than coumarin. It also has a very good Tonka characteristic. Almond, Vanila, Coumarin, hay, coconut note
Indukern F&F
OCTAHYDROCOUMARIN
Odor: SWEET, NUTTY
CROP CALENDAR
Kun Shan P&A
Bicyclononalactone
Lluch Essence
OCTAHYDROCOUMARIN
Moellhausen
OCTAHYDROCOUMARIN
Artificial
Odor: sweet aromatic, lactonic; coconut- and coumarin-like; sharp, fatty, fruity
Pell Wall Perfumes
Bicyclononalactone
Odor: Almond, Vanila, Coumarin, hay, coconut note
Use: Also known as octahydrocoumarin, this IFF product is described by them as: “Very useful in preparing coumarin alternatives. More stable than coumarin. It also has a very good Tonka characteristic. Almond, Vanila, Coumarin, hay, coconut note”. Also easier to handle because it’s liquid rather than the crystals of coumarin.
Penta International
OCTAHYDROCOUMARIN, Kosher
Perfumer Supply House
Bicyclononalactone (Octahydrocoumarin)
Odor: Sweet aromatic, lactonic, milky, coconut, coumarin like, sharp, fatty, fruity, tonka, woody,creamy vanilla nuances
Takasago
Cyclohexyl Lactone
≥98% as Cyclohexyl lactone
Odor: Sweet harbaceous or coumarin-like
Use: Gives body to fruity-floral compositions. May be used in combination with coumarin and also with powdery notes.
The Fragrance Museum
Taytonn
Bicyclononalactone
Odor: Almond, Coconut, Coumarin, Powder/ Powdery, Sweet, Tonka, Vanilla
The John D. Walsh Company
Bicyclononalactone
The Lermond Company
Cyclohexyl Lactone
The Perfumers Apprentice
Bicyclonona-lactone (I)
Odor: Powdery, Sweet Almond, vanilla, coumarin, hay coconut note. more stable than coumarin, with good Tonka characteristics
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Safety Information:
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 36 - Wear suitable protective clothing.
 
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  3900 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 781, 1982.

Dermal Toxicity:
skin-rabbit LD50 3500 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 781, 1982.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for octahydrocoumarin usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.07 (μg/capita/day)
Structure Class: III
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 16
Click here to view publication 16
 average usual ppmaverage maximum ppm
baked goods: 15.0000025.00000
beverages(nonalcoholic): 1.000003.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 10.0000055.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 2.0000010.00000
fruit ices: --
gelatins / puddings: 2.0000010.00000
granulated sugar: --
gravies: --
hard candy: 2.0000020.00000
imitation dairy: 1.000005.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 1.000005.00000
nut products: 5.0000020.00000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 5.0000015.00000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of lactones used as flavor ingredients.View pdf
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 80 (FGE.80) - Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008)
View page or View pdf
Flavouring Group Evaluation 80, Revision 1 (FGE.80Rev1): Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 4430-31-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 20487
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
Chemidplus: 0004430313
RTECS: GN8261500 for cas# 4430-31-3
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References:
 3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 4430-31-3
Pubchem (cid): 20487
Pubchem (sid): 134984944
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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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB37276
Export Tariff Code: 2932.29.6000
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
2-acetyl pyrroleFL/FR
2-acetyl-5-methyl furanFL/FR
6-amyl-alpha-pyroneFL/FR
para-anisyl acetateFL/FR
para-anisyl nitrileFR
 cherry propanolFL/FR
 coconut decanone methylFR
 coconut naphthalenoneFL/FR
 coumaneFL/FR
 coumarinFR
 deertongue absoluteFR
 deertongue concreteFR
 deertongue oleoresinFR
(R)-tonka furanoneFL
(S)-dihydroactinidiolideFL
 dihydrocoumarinFL
 fenugreek absoluteFL/FR
 fig leaf absoluteFL
 flouve absoluteFR
 hay absoluteFR
 heliotropinFL/FR
gamma-heptalactoneFL/FR
gamma-hexalactoneFL/FR
 immortelle absoluteFL/FR
 immortelle flower oilFL/FR
 lime oil expressed floridaFL/FR
 levisticum officinale oleoresinFL
 melilot absoluteFR
 melilot oleoresinFL
para-methyl acetophenoneFL/FR
7-methyl coumarinCS
6-methyl quinolineFL/FR
 mint lactoneFL/FR
 myrtenalFL/FR
delta-nonalactoneFL/FR
 octahydrocoumarinFL/FR
 phthalideFL/FR
 pine needle absoluteFL/FR
black poplar bud oleoresinFL/FR
 powdery ketoneFL
 syringaldehydeFL/FR
 tolualdehydes (mixed o,m,p)FL/FR
 tonka bean absoluteFR
 tonka bean oleoresinFR
 tonka bean resinoidFR
 tonka furanoneFL/FR
 tonka ketoneFR
 tonka undecanoneFR
 tonkavertFR
 vanillinFL/FR
para-vanillyl alcoholFL/FR
 whiskey lactoneFL/FR
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Potential Uses:
 amberFR
 balsamFR
 chocolate cacao 
 coconutFR
 coconut tropicalFR
 hawthornFR
 hay new mown hay foin coupeFR
 herbalFR
 nutFL
 oakmoss mousse de chene mossFR
 spiceFR
 tonka beanFR
 vanillaFR
 warm 
 woodyFR
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Natural Occurrence in: note
 not found in nature
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Synonyms:
2H-1-benzopyran-2-one, octahydro-
2-oxabicyclo(4.4.0)decan-3-one
 bicyclononalactone (IFF)
 coumarin, octahydro-
 cyclo hexyl lactone (Takasago)
 cyclohexyl lactone (Takasago)
 cyclohexyllactone (Takasago)
 octahydro-(2H)-1-benzopyran-2-one
 octahydro-1-benzopyran-2-one
 octahydro-2H-1-benzopyran-2-one
 octahydro-2H-chromen-2-one
 octahydrochromen-2-one
3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 alcohol
 water, 3462 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alcoholic fine fragrance, good
 antiperspirant, fair
 cold wave lotion, good
 deo stick
 fabric softener
 hard surface cleaner
 hypochlorite bleach, poor
 inorganic acid cleaner, good
 liquid detergent, fair
 non-discoloring
 perborate powder detergent, good
 shampoo
 soap, good
 toiletry application, good
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