Fragrance Demo Formulas |
[(Z)-hex-3-enyl] methyl carbonate (Click)
IUPAC Name: [(Z)-hex-3-enyl] methyl carbonate
Std.InChI: InChI=1S/C8H14O3/c1-3-4-5-6-7-11-8(9)10-2/h4-5H,3,6-7H2,1-2H3/b5-4-
InChI: InChI=1/C8H14O3/c1-3-4-5-6-7-11-8(9)10-2/h4-5H,3,6-7H2,1-2H3/b5-4-
Std.InChIKey: BLOXMGXSDAAJGX-PLNGDYQASA-N
InChIKey: BLOXMGXSDAAJGX-PLNGDYQABB
SMILES: CC\C=C/CCOC(=O)OC
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CAS Number: | 67633-96-9 |
ECHA EC Number: | 266-797-4 |
XlogP3-AA: | 2.30 (est) |
Molecular Weight: | 158.19718000 |
Formula: | C8 H14 O3 |
NMR Predictor: | Predict |
EFSA/JECFA Comments: | Register name to be changed (3Z)-Hexenyl methyl carbonate. (EFFA, 2002c). |
Category: | flavor and fragrance agents |
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US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: |
Google Scholar: | Search |
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Perfumer and Flavorist: | Search |
Google Patents: | Search |
US Patents: | Search |
EU Patents: | Search |
Pubchem Patents: | Search |
Flavis Number: | 09.838 (Old) |
EU SANCO Food Flavourings: | 09.838 (3Z)-hexenyl methyl carbonate
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Physical Properties:
Appearance: | colorless clear liquid (est) |
Assay: | 98.00 to 100.00 %
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.96600 to 0.97100 @ 25.00 °C.
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Pounds per Gallon - (est).: | 8.038 to 8.080
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Specific Gravity: | 0.96500 to 0.97300 @ 20.00 °C.
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Pounds per Gallon - est.: | 8.039 to 8.106
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Refractive Index: | 1.42600 to 1.43000 @ 20.00 °C.
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Boiling Point: | 184.00 to 185.00 °C. @ 760.00 mm Hg
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Vapor Pressure: | 0.721000 mm/Hg @ 25.00 °C. (est) |
Vapor Density: | >1 ( Air = 1 ) |
Flash Point: | 170.00 °F. TCC ( 76.67 °C. )
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logP (o/w): | 2.263 |
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. |
Organoleptic Properties:
Odor Type: | green |
Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
Odor Description: at 10.00 % in dipropylene glycol. | natural floral absolute violet green leaf waxy apple Luebke, William tgsc, (1987) |
Odor sample from: | International Flavors & Fragrances Inc. |
Substantivity: | 12 hour(s) at 100.00 % |
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Cosmetic Information:
Suppliers:
A.C.S. International |
Muguet Carbonate
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Apple Flavor & Fragrance |
cis-3-Hexenyl methyl carbonate,liffarome
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Associate Allied Chemicals |
Leafarome
Odor: Floral, fruity with natural smelling violet green |
Azelis |
LIFFAROME
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Bedoukian Research |
cis-3-HEXENYL METHYL CARBONATE
≥98.0% (cis), Kosher Odor: An intense, green, fruity odor reminiscent of tree fruits such as apple, pear and peach, with floral undertones Use: For use in fruity bases and violet and muguet accords. Performs particularly well in fabric softeners and personal care products such as lotions and shampoos. |
Bedoukian Research |
cis-3-HEXENYL METHYL CARBONATE, NO ANTIOXIDANT
≥98.0% (sum of isomers), Special Order Odor: An intense, green, fruity odor reminiscent of tree fruits such as apple, pear and peach, with floral undertones Use: For use in fruity bases and violet and muguet accords. Performs particularly well in fabric softeners and personal care products such as lotions and shampoos. |
CG Herbals |
Leafovert
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CG Herbals |
Liffarome
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Creatingperfume.com |
LIFFAROME™ (IFF)
Odor: natural smelling violet green, pear, grass |
Ernesto Ventós |
LEAFOVERT
Odor: GREEN,FLORAL,VIOLET,FRUITY |
Ernesto Ventós |
LIFFAROME IFF
Odor: GREEN,FLORAL,VIOLET,FRUITY |
Grau Aromatics |
VERTELIONE (cis-3-HEXENYLMETHYLCARBONATE)
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IFF |
LIFFAROME™
Odor: A natural smelling violet green, pear, grass odor. Effective in trace amounts |
Indukern F&F |
LIFFAROME
Odor: VIOLET, GREEN, FLORAL |
Kun Shan P&A |
Liffarome
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Lansdowne Chemicals |
Laniffarome
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Lluch Essence |
VERTELIONE
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Miltitz Aromatics |
Vertocarb
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Moellhausen |
LIFFAROME - VERTELIONE
Artificial Odor: woody, floral, slightly fruity |
Organica Aromatics |
GREENAROME
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PCW France |
cis-3-Hexenyl methyl Carbonate
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Penta International |
cis-3-HEXENYL METHYL CARBONATE
| Shanghai Vigen Fine Chemical |
cis-3-Hexenyl Methyl Carbonate
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SRS Aromatics |
VERTELIONE
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Symrise |
Leafovert®
Odor: green, fresh, floral, with violet aspects Use: Stable in: body lotion (green), shampoo (very good), soap (very good), ap roll-on (very good), powder (good), cleaner citric (very good), cleaner apc (poor), bleach (very good). |
Taytonn |
Liffarome™
Odor: Floral, Fruity, Grass, Green |
The John D. Walsh Company |
Liffarome
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The Lermond Company |
Liffarome
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Vigon International |
Leafovert
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Safety Information:
European information : |
Most important hazard(s): | Xi - Irritant |
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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: | |
Not determined
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Dermal Toxicity: | |
Not determined
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Inhalation Toxicity: | |
Not determined
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Safety in Use Information:
Category: | flavor and fragrance agents |
Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) |
Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) |
Threshold of Concern: | 1800 (μg/person/day) |
Structure Class: | I |
Recommendation for (Z)-3-hexen-1-yl methyl carbonate usage levels up to: | | 2.0000 % in the fragrance concentrate.
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Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). |
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| average usage mg/kg | maximum usage mg/kg |
Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 |
Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 |
Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 |
Processed fruit (04.1): | 7.00000 | 35.00000 |
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
Confectionery (05.0): | 10.00000 | 50.00000 |
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 |
Bakery wares (07.0): | 10.00000 | 50.00000 |
Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 |
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 |
Eggs and egg products (10.0): | - | - |
Sweeteners, including honey (11.0): | - | - |
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 |
Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 |
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 |
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 |
Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 |
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 |
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): |
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 page or pdf |
Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) page or pdf |
Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) page or pdf |
Scientific Opinion on Flavouring Group Evaluation 06, Revision 2 (FGE.06Rev2): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 page or pdf |
Scientific Opinion on Flavouring Group Evaluation 06, Revision 3 (FGE.06Rev3): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 page or pdf |
Scientific Opinion on Flavouring Group Evaluation 06, Revision 4 (FGE.06Rev4): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids and esters from chemical groups 1, 3 and 4 page or pdf |
EPI System: | View |
Chemicalize.org: | Calculate predicted properties |
EPA Substance Registry Services (TSCA): | 67633-96-9 |
EPA ACToR: | Toxicology Data |
National Institute of Allergy and Infectious Diseases: | Data |
WGK Germany: | 2 |
| [(Z)-hex-3-enyl] methyl carbonate |
Chemidplus: | 0067633969 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Natural Occurrence in: note
Synonyms:
| carbonic acid (3Z)-3-hexen-1-yl methyl ester | (Z)- | carbonic acid 3-hexen-1-yl methyl ester | | carbonic acid, (3Z)-3-hexen-1-yl methyl ester | | carbonic acid, (3Z)-3-hexenyl methyl ester | | carbonic acid, 3-hexenyl methyl ester, (Z)- | | greenarome | (3Z)- | hex-3-en-1-yl methyl carbonate | (Z)- | hex-3-en-1-yl methyl carbonate | cis- | hex-3-en-1-yl methyl carbonate | cis- | hex-3-enyl methyl carbonate | [(Z)- | hex-3-enyl] methyl carbonate | (Z)-3- | hexen-1-yl methyl carbonate | cis-3- | hexen-1-yl methyl carbonate | cis-3- | hexenyl methoxy formate | (3Z)- | hexenyl methyl carbonate | (Z)-3- | hexenyl methyl carbonate | cis-3- | hexenyl methyl carbonate | cis-3- | hexenyl methyl carbonate, no antioxidant | | laniffarome | | leafovert | | liffarome | | muguet carbonate | | vertelione | | vertelione (cis-3-hexenylmethylcarbonate) | | vertocarb |
Articles:
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click on the picture(s) below to interact with the 3D model |
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Soluble in: |
| alcohol | | water, slightly | | water, 537.8 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Stability: |
| alcoholic lotion | | antiperspirant | | deo stick | | fabric softener | | shampoo | | soap |
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