Articles:
trans-3-phenyl-2-propen-1-ol
Notes:
Constit. of storax and Peruvian balsam, mainly as ester of Cinnamic acid. Flavouring. Stabiliser
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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): 4407-36-7 3-Phenyl-2-propen-1-ol >95% 3-Phenyl-2-propen-1-ol is a natural phenylpropanoid found in barks of Cinnamomum cassia Presl.
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| CAS Number: | 4407-36-7 |  3D/inchi
|
| FDA UNII: | SS8YOP444F | |
| Nikkaji Web: | J9.304A | |
| XlogP3: | 1.90 (est) | |
| Molecular Weight: | 134.17790000 | |
| Formula: | C9 H10 O | |
| BioActivity Summary: | listing | |
| 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: | white to pale yellow solid (est) |
| Assay: | 94.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.04400 @ 20.00 °C. |
| Refractive Index: | 1.58190 @ 20.00 °C. |
| Melting Point: | 34.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 247.00 to 250.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.012000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 1.700 |
| Soluble in: | |
| alcohol | |
| water, 6188 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: balsamic | |
| Odor Strength: | medium |
| Substantivity: | 400 hour(s) at 100.00 % |
| sweet balsamic hyacinth spicy green powdery cinnamyl | |
| Odor Description: at 100.00 %. | sweet balsam hyacinth spicy green powdery cinnamyl |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 3-Phenyl-2-propen-1-ol >95%
Odor: characteristic Use: 3-Phenyl-2-propen-1-ol is a natural phenylpropanoid found in barks of Cinnamomum cassia Presl. |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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 | |||
| IFRA Critical Effect: | Sensitization | ||
| IFRA fragrance material specification: | |||
| Should not be used such that the level in finished cosmetic products exceeds 0.8%. Based on test results showing sensitising potential. (IFRA guidelines). | |||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 0.09 % | |||
| Category 2: Products applied to the axillae | |||
| 0.10 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.40 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.40 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 0.40 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| Category 6: Products with oral and lip exposure | |||
| 2.20 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.20 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.40 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.40 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 0.40 % | |||
| Category 10B: Household aerosol/spray products | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| See Note % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again. | |||
(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org). | |||
(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product. | |||
| Recommendation for (E)-cinnamyl alcohol flavor usage levels up to: | |||
| 720.0000 ppm in the finished product. | |||
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 : | 5315892 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| (E)-3-phenylprop-2-en-1-ol | |
| Chemidplus: | 0004407367 |
References:
| (E)-3-phenylprop-2-en-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5315892 |
| Pubchem (sid): | 135079592 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | C02394 |
| HMDB (The Human Metabolome Database): | HMDB29698 |
| FooDB: | FDB000888 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Formulations/Preparations: assay: 98% min | |
Potential Blenders and core components note
Potential Uses:
| acacia | FR | |
| aldehydic | FR | |
| amber | FR | |
| ambrene | FR | |
| amour-amour | ||
| apple blossom | FR | |
| apricot | FR | |
| azalea | FR | |
| balsam | FR | |
| bay rum | FR | |
| bellodgia | ||
| blue grass | FR | |
| blue mist | FR | |
| bluebell | FR | |
| carnation | FR | |
| cassia | FR | |
| cherry | FR | |
| chocolate cocoa | FL | |
| cinnamon | FR | |
| cinq fleurs forvil | ||
| currant | FR | |
| daffodil | FR | |
| floral | FR | |
| gardenia | FR | |
| grape | FR | |
| hawthorn | FR | |
| hay new mown hay | FR | |
| heliotrope | FR | |
| honey | FR | |
| honeysuckle | FR | |
| hyacinth | FR | |
| jasmin | FR | |
| jonquil | FR | |
| joy | ||
| lilac | FR | |
| lily | FR | |
| lily of the valley | FR | |
| magnolia | FR | |
| modifier | ||
| my sin | ||
| narcissus | FR | |
| neroli | FR | |
| nut | FL | |
| orange blossom | FR | |
| orchid | FR | |
| oriental | FR | |
| peach | FR | |
| peony | FR | |
| peru balsam | FR | |
| plum | FR | |
| powder | FR | |
| prune | FR | |
| rose | FR | |
| rose d'orient | FR | |
| rose moss rose | FR | |
| rose red rose | FR | |
| rose tea rose | FR | |
| spice | FR | |
| sweet pea | FR | |
| tuberose | FR | |
| vanilla | FR | |
| violet | FR | |
| wallflower | FR | |
| walnut | FL | |
| woody | FR | |
| ylang ylang | FR | |
| zibeline | FR |
Occurrence (nature, food, other): note
| bilberry fruit juice Search Trop Picture | |
| blueberry fruit Search Trop Picture | |
| cassia Search PMC Picture | |
| cinnamon bark Search Trop Picture | |
| cinnamon bark oil (cinnamomum zeylanicum blume) india @ 7.69% Data GC Search Trop Picture | |
| cinnamon bark oil (cinnamomum zeylanicum blume) sri lauka @ 0.50-0.60% Data GC Search Trop Picture | |
| cinnamon ceylon cinnamon leaf Search Trop Picture | |
| cinnamon fruit oil india @ 2.0-2.2% Data GC Search Trop Picture | |
| cinnamon leaf Search Trop Picture | |
| cinnamon twig oil @ 9.55% Data GC Search Trop Picture | |
| hyacinthus orientalis absolute @ 3.46-4.04% Data GC Search Trop Picture | |
| narcissus absolute @ 0.81% Data GC Search Trop Picture | |
| narcissus absolute @ 2.87% Data GC Search Trop Picture | |
| raspberry plant Search Trop Picture | |
| styrax Search Picture | |
| tolu balsam Search Trop Picture | |
| ylang ylang oil @ 0.26% Data GC Search Trop Picture |
Synonyms:
| trans- | cinnamyl alcohol |
| (E)-3- | phenyl-2-propen-1-ol |
| trans-3- | phenyl-2-propen-1-ol |
| (E)-3- | phenyl-prop-2-en-1-ol |
| (2E)-3- | phenylprop-2-en-1-ol |
| (E)-3- | phenylprop-2-en-1-ol |
| 2- | propen-1-ol, 3-phenyl-, (E)- |
| propenoic acid, 3-phenyl-, (trans)- |