Articles:
| Info: | anthranilate derivatives |
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Bedoukian Research, Inc. Constantly Improving Working closely with our customers to meet their requirements. Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries. US Email: Customer Service US Voice: 1-203-830-4000 US Fax: 1-203-830-4010 Products List: View Product(s): 104 cis-3-HEXEN-1-YL ANTHRANILATE ≥98.0% (cis), Kosher MSDS May be used in colognes, neroli bases and petitgrain compositions.
Can be used in grape, cherry, pineapple, plum, green leafy vegetables.
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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 Voice: 34 93 379 38 49 Fax: 34 93 370 65 04 Product(s): cis-3-HEXENYL ANTHRANILATE
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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 US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 08-31300 cis-3-HEXENYL ANTHRANILATE, Kosher
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| [(Z)-hex-3-enyl] 2-aminobenzoate (Click)
IUPAC Name: [(Z)-hex-3-enyl] 2-aminobenzoate
Std.InChI: InChI=1S/C13H17NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10,14H2,1H3/b4-3-
InChI: InChI=1/C13H17NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10,14H2,1H3/b4-3-
Std.InChIKey: VZWCCPAVZNSCEO-ARJAWSKDSA-N
InChIKey: VZWCCPAVZNSCEO-ARJAWSKDBX
SMILES: CC\C=C/CCOC(=O)C1=CC=CC=C1N
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| CAS Number: | 65405-76-7 |
| ECHA EC Number: | 265-744-2 |
| FDA UNII: | PQO7MXY1IA |
| Beilstein Number: | 2807994 |
| FEMA Number: | 3925 |
| CoE Number: | 10676 |
| XlogP3: | 4.00 (est) |
| Molecular Weight: | 219.28389000 |
| Formula: | C13 H17 N O2 |
| NMR Predictor: | Predict |
| 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 |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1538 cis-3-hexenyl anthranilate |
| Flavis Number: | 09.561 (Old) |
| EU SANCO Food Flavourings: | 09.561 hex-3(cis)-enyl anthranilate |
| FEMA Number: | 3925 cis-3-hexenyl anthranilate |
| FDA Mainterm: | (Z)-3-HEXENYL ANTHRANILATE |
Physical Properties:
| Appearance: | colorless to pale amber clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.04700 to 1.05400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.712 to 8.770 |
| Refractive Index: | 1.54500 to 1.55400 @ 20.00 °C. |
| Boiling Point: | 160.00 °C. @ 5.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Vapor Pressure: | 0.000089 mm/Hg @ 25.00 °C. |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 220.00 °F. TCC ( 104.44 °C. ) |
| logP (o/w): | 4.370 |
Organoleptic Properties:
| Odor Type: | fruity |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | sweet green fruity concord grape jasmin orangeflower Luebke, William tgsc, (2009) |
| Odor sample from: | Bedoukian Research, Inc. |
| Odor Description: at 1.00 %. | Deep sweet ripe fruity, concord grape skin with a jasmine and lilac floral note and a naphthyl-like nuance Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
| Taste Description: at 10.00 - 100.00 ppm. | Floral lilac and jasmin with a fruity berry and anthranilate grape nuance. It leaves an interesting woody and jammy mouth feel Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
| Substantivity: | 24 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Bedoukian Research |
| cis-3-HEXEN-1-YL ANTHRANILATE
≥98.0% (cis), Kosher Odor: Very fine fruity concord grape character Use: May be used in colognes, neroli bases and petitgrain compositions. Flavor: floral Can be used in grape, cherry, pineapple, plum, green leafy vegetables. |
| CG Herbals |
| cis-3-Hexenyl Anthranilate |
| CTC Organics |
| cis-3-hexenyl anthranilate |
| Inoue Perfumery |
| CIS-3-HEXENYL ANTHRANILATE |
| Lluch Essence |
| cis-3-HEXENYL ANTHRANILATE |
| Penta International |
| cis-3-HEXENYL ANTHRANILATE, Kosher |
| Reincke & Fichtner |
| cis-3-Hexenyl Anthranilate |
| ZEON Chemicals |
| cis-3-Hexenyl anthranilate |
Safety Information:
| European information : | |||
| Most important hazard(s): | |||
| None - None found. | |||
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |||
| 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: | |||
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oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 711, 1982. | |||
| Dermal Toxicity: | |||
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skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 711, 1982. | |||
| Inhalation Toxicity: | |||
| Not determined | |||
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 53.00 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Recommendation for (Z)-3-hexen-1-yl anthranilate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Recommendation for (Z)-3-hexen-1-yl anthranilate flavor usage levels up to: | |||
| 100.0000 ppm in the finished product. | |||
Safety References:
| 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 84, (FGE.84)[1] - Consideration of Anthranilate derivatives evaluated by JECFA (65th meeting) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food page or 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. page or pdf | |
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| EPA Substance Registry Services (TSCA): | 65405-76-7 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(Z)-hex-3-enyl] 2-aminobenzoate | |
| Chemidplus: | 0065405767 |
References:
| [(Z)-hex-3-enyl] 2-aminobenzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 65405-76-7 |
| Pubchem (cid): | 5372353 |
| Pubchem (sid): | 135007420 |
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 |
| Export Tariff Code: | 2922.49.3800 |
| ChemSpider: | View |
Potential Blenders and core components note
| allyl cyclohexyl acetate | FL/FR | |
| allyl propionate | FL/FR | |
| ambrette seed absolute | FL/FR | |
| amyl valerate | FL/FR | |
| butyl anthranilate | FL/FR | |
| iso | butyl anthranilate | FL/FR |
| iso | butyl methyl anthranilate | FL/FR |
| cinnamyl anthranilate | ||
| curacao peel oil | FL/FR | |
| alpha- | damascone | FL/FR |
| dihydroactinidolide | FL/FR | |
| dihydronootkatone | FL | |
| ethyl 3-hydroxyhexanoate | FL/FR | |
| ethyl methyl mercaptopropionate | FL/FR | |
| furfuryl butyrate | FL | |
| furfuryl isovalerate | FL | |
| grape butyrate | FL/FR | |
| hexyl isobutyrate | FL/FR | |
| lime oil distilled terpeneless | FL/FR | |
| maltyl isobutyrate | FL/FR | |
| methyl anthranilate | FL/FR | |
| methyl formyl anthranilate | FL/FR | |
| methyl furfuryl disulfide | FL/FR | |
| nerolin fragarol | FL/FR | |
| petitgrain mandarin oil | FL/FR | |
| pineapple hydroxyhexanoate | FL/FR | |
| propyl heptanoate | FL/FR | |
| propyl isobutyrate | FL/FR |
Potential Uses:
| apple | FR | |
| apricot | FR | |
| berry | FR | |
| cherry | FR | |
| grape | FR | |
| grape concord | FR | |
| green | FR | |
| jam | ||
| neroli | FR | |
| peach | FR | |
| petitgrain | FL/FR | |
| pineapple | FR | |
| plum | FR | |
| ripe | ||
| strawberry | FR |
Natural Occurrence in: note
| not found in nature |
Synonyms:
| anthranilic acid cis-3-hexenyl ester | |||
| (3Z)- | hex-3-en-1-yl 2-aminobenzoate | ||
| (Z)- | hex-3-enyl 2-aminobenzoate | ||
| (Z)- | hex-3-enyl anthranilate | ||
| cis- | hex-3-enyl anthranilate | ||
| [(Z)- | hex-3-enyl] 2-aminobenzoate | ||
| hex-3(cis)-enyl anthranilate | |||
| (3Z)-3- | hexen-1-ol 2-aminobenzoate | ||
| (Z)-3- | hexen-1-ol 2-aminobenzoate | ||
| 3- | hexen-1-ol, 2-aminobenzoate, (3Z)- | ||
| 3- | hexen-1-ol, 2-aminobenzoate, (Z)- | ||
| (Z)-3- | hexen-1-yl 2-aminobenzoate | ||
| (Z)-3- | hexen-1-yl anthranilate | ||
| cis-3- | hexen-1-yl anthranilate | ||
| 3- | hexen-ol, 2-aminobenzoate, (Z)- | ||
| (Z)-3- | hexenyl 2-aminobenzoate | ||
| (Z)-3- | hexenyl anthranilate | ||
| C3 | hexenyl anthranilate | ||
| cis-3- | hexenyl anthranilate |
click on the picture(s) below to interact with the 3D model | |
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| Soluble in: | |
| alcohol | |
| water, 4.933 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |