(Z)-3-hexen-1-yl isobutyrate
cis-3-hexenyl isobutyrate
Identification
| Name | (Z)-3-hexen-1-yl isobutyrate |
| IUPAC | [(Z)-hex-3-enyl] 2-methylpropanoate |
| CAS Number | 41519-23-7 |
| EINECS | 255-424-0 |
| FDA UNII | R84N0RD251 |
| Molecular Formula | C10 H18 O2 |
| Molecular Weight | 170.25186000 |
| MDL Number | MFCD00036529 |
| Nikkaji Number | J183.044I |
| Beilstein | 1759547 |
| CoE Number | 11783 |
Regulatory
| JECFA Food Flavoring | 1275 cis-3-hexenyl isobutyrate |
| DG SANTE Food Flavourings | 09.563 hex-3(cis)-enyl isobutyrate |
| FEMA Number | 3929 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 41519-23-7 ; (Z)-3-HEXENYL ISOBUTYRATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.88200 to 0.88500 @ 25.00 °C., 0.87900 to 0.88900 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.339 to 7.364 |
| Pounds per Gallon - est. | 7.323 to 7.406 |
| Refractive Index | 1.42400 to 1.43200 @ 20.00 °C. |
| Boiling Point | 80.00 °C. @ 30.00 mm Hg, 73.00 °C. @ 6.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.182000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 5.8 ( Air = 1 ) |
| Flash Point | 152.00 °F. TCC ( 66.67 °C. ) |
| logP (o/w) | 3.263 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | acid cleaner |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | > 8 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. at 1.00 %. Green, fruity, cut grass, apple-like potent fruity green; character of cut grass GREEN, APPLE, FRUITY, CUT GRASS Powerful fruity, winey, green odor, very diffusive
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
sweet fruity spicy apple pear green asparagus green bean guava at 1.00 - 5.00 ppm. Fresh, green, fruity notes green, fruity, apple-like
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M/F] > 25000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for (Z)-3-hexen-1-yl isobutyrate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 12.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 18.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | ND (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 16.00000 |
| beverages(nonalcoholic) | 2.00000 |
| beverages(alcoholic) | 4.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 15.00000 |
| condiments / relishes | 5.00000 |
| confectionery froastings | 5.00000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 7.00000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 5.00000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | 2.00000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
ACS International GmbH
Creativity Beyond Chemistry
Production • Distribution • Sourcing • Logistics • Consulting
Augustus Oils Ltd
The Premier Supplier
Augustus Oils Ltd, in harmony with nature - to present it at its best...
Azelis UK Ltd.
Chemical Distribution
Azelis is a leading global distributor of speciality chemicals.
Bedoukian Research, Inc.
Perfecting the Art of Chemistry
Working closely with our customers to meet their requirements.
Berje Inc.
Where the world comes to its senses
Where the world comes to its senses - Berjé is a global distributor of Essential Oils and Aromatic Chemicals.
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Charkit Chemical Corporation
The Specialty Chemical Specialists
Explore this website to discover the products and services that Charkit provides for your industry and please contact us directly to find out how we can be of service to you.
FRUTAROM USA INC,
Flavor & Specialty Ingredients
Your preferred partner for flavour and fragrance success.
Indukern, S.A. F&F Ingredients Division
Commitment to quality
Idukern F&F Ingredients is your partner for the fragrance and flavor ingredients.
Lluch Essence S.L.
A family company dedicated to sales and distribution
Flexibility, availability, price and quality.
M&U International LLC
Steady supply & demand
Meeting customers increasing demands at home as well as abroad.
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Prodasynth
PRODUCTEUR PAR ESSENCE
Chemical specialist in manufacturing, distributing and sourcing of tailor-made ingredients for the Flavour & Fragrance industry.
Sigma-Aldrich
Complete Supply Chain
The perfect blend of products and services that bring your creativity to life.
Synerzine, Inc.
Innovation. Customization. Aroma Ingredients.
Synerzine is a leading supplier of flavor and fragrance ingredients.
Taytonn ASCC 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.
The Lermond Company
Your Sourcing Resource
The Lermond family has been sourcing raw materials for the flavor and fragrance industry for nearly 7 decades.
Qingdao Free Trade Zone United International Co Ltd
Quality Products
A partner in your supply chain solution.
Vigon International
Passion for Simplicity
Manufacturer and supplier of high quality flavor and fragrance ingredients.
WholeChem, LLC
Connecting Innovators To the Building Blocks Of the Universe
Custom manufacturer and distributor of specialty ingredients. We make global local.