Articles:
| None found yet. Try the PubMed Search. |
(+/-)heptan-2-yl butyrate
Notes:
Used as a food additive [EAFUS]
-
Alfrebro LLC/ Archer Daniels Midland Company Let's get reacquainted Building great taste with aroma chemicals, extracts, and distillates The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals. Email: Sarah Forbis Email: Sales Voice: 513-539-3021 Fax: 513-539-7372 US Voice: 513-539-7373 Newsroom Product(s): 2-HEPTYL BUTYRATE NATURAL
-
-
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 Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 39026-94-3 Heptan-2-yl-butyrate
-
| CAS Number: | 39026-94-3 |  3D/inchi
|
| FDA UNII: | BFT3C3F90P | |
| Nikkaji Web: | J126.464H | |
| XlogP3-AA: | 3.70 (est) | |
| Molecular Weight: | 186.29474000 | |
| Formula: | C11 H22 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | Racemate (EFFA, 2010a). | |
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: | 1144 (+/-)heptan-2-yl butyrate |
| DG SANTE Food Flavourings: | 09.923 hept-2-yl butyrate |
| FEMA Number: | 3981 (+/-)heptan-2-yl butyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 39026-94-3 ; 2-HEPTYL BUTYRATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.85500 to 0.86000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.114 to 7.156 |
| Refractive Index: | 1.41300 to 1.41700 @ 20.00 °C. |
| Boiling Point: | 210.00 °C. @ 760.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Vapor Pressure: | 0.158000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 181.00 °F. TCC ( 82.78 °C. ) |
| logP (o/w): | 4.196 (est) |
| Soluble in: | |
| alcohol | |
| water, 12.56 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| fruity green vegetable cheesy walnut | |
| Odor Description: at 100.00 %. | fruity green vegetable cheesy walnut |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Alfrebro |
| 2-HEPTYL BUTYRATE NATURAL
Odor: Fruity, Green, Vegetable |
| Axsyn |
| For experimental / research use only. |
| Butanoic acid, 1-methylhexyl ester |
| BOC Sciences |
| For experimental / research use only. |
| Heptan-2-yl-butyrate |
| Kingchem Laboratories |
| HEPTAN 2-YL BUTYRATE
Odor: Fruity, fresh, walnut-like with a cheesy topnote |
Safety Information:
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 2-heptyl butyrate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 3.00 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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: 20 | |||
| Click here to view publication 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 5.00000 | 10.00000 | |
| beverages(nonalcoholic): | 2.00000 | 4.00000 | |
| beverages(alcoholic): | 2.00000 | 4.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 20.00000 | 40.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 3.00000 | 6.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 4.00000 | 8.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 3.00000 | 6.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf | |
| Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 (2012) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 529496 |
| National Institute of Allergy and Infectious Diseases: | Data |
| heptan-2-yl butanoate | |
| Chemidplus: | 0039026943 |
References:
| Leffingwell: | Chirality or Article |
| heptan-2-yl butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 529496 |
| Pubchem (sid): | 135359439 |
| Pherobase: | View |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB32310 |
| FooDB: | FDB009556 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| floral | FR | |
| spice | FR |
Occurrence (nature, food, other): note
| banana fruit Search Trop Picture | |
| beer Search PMC Picture | |
| cheese bleu cheese Search PMC Picture | |
| guava fruit Search Trop Picture | |
| passion fruit Search Trop Picture | |
| pineapple fruit Search Trop Picture | |
| strawberry wild strawberry fruit Search Trop Picture |
Synonyms:
| butanoic acid 1-methyl hexyl ester | |
| butanoic acid methylhexyl ester | |
| butanoic acid, 1-methylhexyl ester | |
| hept-2-yl butyrate | |
| heptan-2-yl butanoate | |
| heptan-2-yl butyrate | |
| (+/-) | heptan-2-yl butyrate |
| (±)- | heptan-2-yl butyrate |
| (±)-2- | heptanyl butyrate |
| 1- | methyl hexyl butyrate |