Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | colorless clear liquid (est) |
Assay: | 99.00 to 100.00 % sum of isomers
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 1.09200 to 1.09800 @ 25.00 °C.
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Pounds per Gallon - (est).: | 9.087 to 9.136
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Refractive Index: | 1.48400 to 1.49900 @ 20.00 °C.
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Boiling Point: | 144.00 to 146.00 °C. @ 16.00 mm Hg
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Boiling Point: | 293.00 to 294.00 °C. @ 760.00 mm Hg
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Vapor Pressure: | 0.006000 mmHg @ 25.00 °C. (est) |
Flash Point: | 305.00 °F. TCC ( 151.67 °C. )
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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. |
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 |
Organoleptic Properties:
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Odor Type: tonka |
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Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
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Substantivity: | 400 hour(s) at 100.00 % |
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| sweet herbal coumarinic tonka woody |
Odor Description: at 10.00 % in dipropylene glycol. | sweet herbal coumarin tonka woody Luebke, William tgsc, (1987) |
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| 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) |
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Flavor Type: coconut |
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| 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) |
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Odor and/or flavor descriptions from others (if found). |
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Takasago |
Cyclohexyl Lactone ≥98% as Cyclohexyl lactone |
Odor Description: | Sweet harbaceous or coumarin-like Gives body to fruity-floral compositions. May be used in combination with coumarin and also with powdery notes. |
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IFF |
Bicyclononalactone |
Odor Description: | Very useful in preparing coumarin alternatives. More stable than coumarin. It also has a very good Tonka characteristic. Almond, Vanila, Coumarin, hay, coconut note |
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Moellhausen |
BICYCLONONALACTONE |
Odor Description: | sweet aromatic, lactonic; coconut- and coumarin-like; sharp, fatty, fruity |
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Taytonn ASCC |
Bicyclononalactone |
Odor Description: | Almond, Coconut, Coumarin, Powder/ Powdery, Sweet, Tonka, Vanilla |
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Pell Wall Perfumes |
Bicyclononalactone |
Odor Description: | Almond, Vanila, Coumarin, hay, coconut note 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. |
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Cosmetic Information:
Suppliers:
Augustus Oils |
Octahydrocoumarin
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Services |
Azelis UK |
Bicyclononalactone
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BOC Sciences |
For experimental / research use only. |
Octahydro-2H-1-benzopyran-2-one
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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 |
Kun Shan P&A |
Bicyclononalactone
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Lluch Essence |
OCTAHYDROCOUMARIN
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M&U International |
Bicyclononalactone(IFF# : 151245)
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Moellhausen |
BICYCLONONALACTONE
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
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Perfumer Supply House |
Bicyclononalactone (Octahydrocoumarin)
Odor: Sweet aromatic, lactonic, milky, coconut, coumarin like, sharp, fatty, fruity, tonka, woody,creamy vanilla nuances |
SRS Aromatics |
CYCLOHEXYL LACTONE
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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 ASCC |
Bicyclononalactone
Odor: Almond, Coconut, Coumarin, Powder/ Powdery, Sweet, Tonka, Vanilla |
The John D. Walsh Company |
Bicyclononalactone
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The Lermond Company |
CYCLOHEXYL LACTONE
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The Perfumers Apprentice |
Bicyclonona-lactone (I)
Odor: Powdery, Sweet Almond, vanilla, coumarin, hay coconut note. more stable than coumarin, with good Tonka characteristics |
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.
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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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.
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Dermal Toxicity: |
skin-rabbit LD50 3500 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 781, 1982.
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Inhalation Toxicity: |
Not determined
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Safety in Use Information:
Category: | flavor and 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 octahydrocoumarin usage levels up to: | | 10.0000 % in the fragrance concentrate.
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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 ppm | average maximum ppm |
baked goods: | 15.00000 | 25.00000 |
beverages(nonalcoholic): | 1.00000 | 3.00000 |
beverages(alcoholic): | - | - |
breakfast cereal: | - | - |
cheese: | - | - |
chewing gum: | 10.00000 | 55.00000 |
condiments / relishes: | - | - |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | - | - |
fish products: | - | - |
frozen dairy: | 2.00000 | 10.00000 |
fruit ices: | - | - |
gelatins / puddings: | 2.00000 | 10.00000 |
granulated sugar: | - | - |
gravies: | - | - |
hard candy: | 2.00000 | 20.00000 |
imitation dairy: | 1.00000 | 5.00000 |
instant coffee / tea: | - | - |
jams / jellies: | - | - |
meat products: | - | - |
milk products: | 1.00000 | 5.00000 |
nut products: | 5.00000 | 20.00000 |
other grains: | - | - |
poultry: | - | - |
processed fruits: | - | - |
processed vegetables: | - | - |
reconstituted vegetables: | - | - |
seasonings / flavors: | - | - |
snack foods: | - | - |
soft candy: | 5.00000 | 15.00000 |
soups: | - | - |
sugar substitutes: | - | - |
sweet sauces: | - | - |
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 |
AIDS Citations: | Search |
Cancer Citations: | Search |
Toxicology Citations: | Search |
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 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
2H-1- | benzopyran-2-one, octahydro- | 2-oxa | bicyclo(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 |
Articles:
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