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(6R)-(+)-6-heptyltetrahydro-2H-pyran-2-one
Notes:
None found
| CAS Number: | 29587-89-1 |  3D/inchi
|
| FDA UNII: | 30UGC07332 | |
| Nikkaji Web: | J102.254G | |
| Beilstein Number: | 1282749 | |
| XlogP: | 4.20 (est) | |
| Molecular Weight: | 198.30574000 | |
| Formula: | C12 H22 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
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 |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 295.00 to 296.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 248.00 °F. TCC ( 119.80 °C. ) (est) |
| logP (o/w): | 3.488 (est) |
| Soluble in: | |
| alcohol | |
| water, 41.54 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| Odor Strength: | medium |
| fruity apricot lactonic | |
| Odor Description: at 100.00 %. | fruity sweet apricot lactonic |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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 | |||
Safety References:
| 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 : | 12844 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (6R)-6-heptyloxan-2-one | |
| Chemidplus: | 0000713951 |
References:
| Leffingwell: | Chirality or Article |
| (6R)-6-heptyloxan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 12844 |
| Pubchem (sid): | 134977739 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| balsamic | ||
| 3- | phenyl propyl cinnamate | FL/FR |
| floral | ||
| anise indene | FR | |
| fruity | ||
| allyl propionate | FL/FR | |
| amyl propionate | FL/FR | |
| para- | anisyl valerate | FL/FR |
| apricot isobutyrate | FR | |
| apricot mango fragrance | FR | |
| benzyl heptanoate | FL/FR | |
| decen-1-yl cyclopentanone | FL/FR | |
| dihydroactinidolide | FL/FR | |
| alpha,alpha- | dimethyl benzyl isobutyrate | FL/FR |
| 2- | ethyl-4-methyl-1,3-oxathiane | |
| beta- | ionyl ethyl ether | FR |
| propyl butyrate | FL/FR | |
| gamma- | undecalactone (aldehyde C-14 (so-called)) | FL/FR |
| green | ||
| benzyl hexanoate | FL/FR | |
| (E)-2- | hexen-1-yl butyrate | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| amyl propionate | FL/FR | |
| para- | anisyl valerate | FL/FR |
| benzyl heptanoate | FL/FR | |
| benzyl hexanoate | FL/FR | |
| dihydroactinidolide | FL/FR | |
| 2- | ethyl-4-methyl-1,3-oxathiane | |
| alliaceous | ||
| allyl propionate | FL/FR | |
| creamy | ||
| gamma- | undecalactone (aldehyde C-14 (so-called)) | FL/FR |
| fruity | ||
| decen-1-yl cyclopentanone | FL/FR | |
| alpha,alpha- | dimethyl benzyl isobutyrate | FL/FR |
| propyl butyrate | FL/FR | |
| green | ||
| (E)-2- | hexen-1-yl butyrate | FL/FR |
| spicy | ||
| 3- | phenyl propyl cinnamate | FL/FR |
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| (R)-(+)-delta- | dodecalactone |
| (5R)-(+)-5- | heptyl pentan-5-olide |
| (6R)-(+)-6- | heptyl tetrahydro-2H-pyran-2-one |
| (6R)-6- | heptyloxan-2-one |
| (5R)-(+)-5- | heptylpentan-5-olide |
| (6R)-(+)-6- | heptyltetrahydro-2H-pyran-2-one |