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heptanoic acid, 2-phenylethyl ester
Notes:
None found
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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): 5454-11-5 Heptanoic acid,2-phenylethyl ester
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SRS Aromatics Ltd For over 25 years Bringing flavour and fragrance into your world. As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply. Email: Info Email: Sales Voice: +44 (0) 1284 704076 Fax: +44 (0) 1284 760819 Twitter Linkedin News Product(s): PHENYL ETHYL HEPTANOATE
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| CAS Number: | 5454-11-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 226-701-3 | |
| Nikkaji Web: | J155.070E | |
| CoE Number: | 596 | |
| XlogP3-AA: | 4.50 (est) | |
| Molecular Weight: | 234.33874000 | |
| Formula: | C15 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: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.03400 @ 25.00 °C. |
| Refractive Index: | 1.48050 @ 25.00 °C. |
| Boiling Point: | 321.00 to 322.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000305 mmHg @ 25.00 °C. (est) |
| Flash Point: | 237.00 °F. TCC ( 113.89 °C. ) |
| logP (o/w): | 4.846 (est) |
| Soluble in: | |
| alcohol | |
| water, 1.467 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl heptanoate | |
| amyl heptanoate | |
| isoamyl heptanoate | |
| benzyl heptanoate | |
| butyl heptanoate | |
| isobutyl heptanoate | |
| decyl heptanoate | |
| ethyl 2-acetyl heptanoate | |
| ethyl heptanoate | |
| eugenyl heptanoate | |
| furfuryl heptanoate | |
| geranyl heptanoate | |
| heptyl heptanoate | |
| (Z)-3-hexen-1-yl heptanoate | |
| hexyl heptanoate | |
| methyl heptanoate | |
| nonyl heptanoate | |
| octyl heptanoate | |
| prenyl heptanoate | |
| propyl heptanoate | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | medium |
| floral rose apricot | |
| Odor Description: at 100.00 %. | floral rose apricot |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Heptanoic acid,2-phenylethyl ester |
| Grau Aromatics |
| PHENYLETHYL-HEPTANOATE |
| SRS Aromatics |
| PHENYL ETHYL HEPTANOATE |
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 phenethyl heptanoate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 5454-11-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 79552 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2-phenylethyl heptanoate | |
| Chemidplus: | 0005454115 |
References:
| 2-phenylethyl heptanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 79552 |
| Pubchem (sid): | 135037548 |
| 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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.90.8000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apricot | FR | |
| floral | FR | |
| fruit | FR | |
| rose | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| heptanoic acid 2-phenethyl ester | |
| heptanoic acid 2-phenyl ethyl ester | |
| heptanoic acid, 2-phenylethyl ester | |
| 2- | phenethyl heptanoate |
| phenethyl heptylate | |
| phenyl ethyl heptanoate | |
| 2- | phenyl ethyl heptanoate |
| phenyl ethyl heptylate | |
| 2- | phenylethyl heptanoate |
| phenylethyl-heptanoate |