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methyl benzyl carbinol
Methyl benzyl carbinol is a naturally occurring aromatic alcohol known for its subtle floral and fruity scent, commonly used in perfumery and flavor formulations.
General Material Description
Methyl benzyl carbinol, also known as 1-phenyl-2-propanol, is an aromatic alcohol with the molecular formula C9H12O. This compound appears as a liquid exhibiting a faint floral odor resembling weak rose and a fruity sweet pineapple flavor profile. It belongs to the class of natural substances and extractives and is often sourced from botanical origins such as Ficus punctata. Methyl benzyl carbinol is recognized under numerous synonyms including benzyl methyl carbinol and alpha-methyl phenethyl alcohol. Its chemical structure and properties are cataloged in authoritative databases such as PubChem. The compound's physicochemical characteristics make it suitable for applications requiring delicate aromatic notes.
Occurrence, Applicability & Potential Uses
Methyl benzyl carbinol naturally occurs in plant species such as Ficus punctata, where it contributes to the characteristic scent profiles. Its floral and fruity attributes make it valuable in perfume and fragrance industries to evoke notes reminiscent of apricot, chestnut blossom, peach, and pineapple. The compound is included in the category of natural substances and extractives. Usage and safety standards for compounds of this type are often guided by regulatory frameworks like FEMA (US), which oversee permissible concentrations in flavors and fragrances, although methyl benzyl carbinol is currently not recommended for fragrance or flavor use due to safety considerations.
Physico-Chemical Properties Summary
Methyl benzyl carbinol features a molecular weight of approximately 136.19 g/mol and presents as a liquid with a specific gravity ranging from 0.992 to 0.994 at 20°C. It has a refractive index between 1.52 and 1.523 at the same temperature, indicating moderate optical density. Its boiling point is recorded near 219 to 220°C at atmospheric pressure, with a reduced pressure boiling point around 73 to 74°C at 0.5 mm Hg. The compound’s estimated water solubility is about 5838 mg/L at 25°C, reflecting limited but measurable hydrophilicity. A logP value of 1.97 suggests moderate lipophilicity, influencing its behavior in formulations. The flash point of 185°F indicates that it is relatively stable under typical handling conditions. These properties collectively affect how methyl benzyl carbinol can be incorporated into fragrance or flavor blends, taking volatility and solubility into account.
FAQ
What is methyl benzyl carbinol and what are its key characteristics?
Methyl benzyl carbinol, also known as 1-phenyl-2-propanol, is an aromatic alcohol noted for its faint floral and fruity scent qualities. It is naturally present in some plants and is characterized by a weak rose odor and a sweet pineapple-flavored note. The compound has a molecular formula of C9H12O and appears as a liquid under standard conditions. It has diverse synonyms and features moderate solubility in water, a boiling point near 220°C at atmospheric pressure, and a specific gravity close to 0.993 at 20°C.
Where does methyl benzyl carbinol occur naturally and how is it applied?
This compound naturally occurs in botanical sources such as Ficus punctata, contributing aroma notes within the plant’s extract. Owing to its floral and fruity olfactory properties reminiscent of apricot, peach, and pineapple, methyl benzyl carbinol finds use principally in fragrance and flavor sectors. It is categorized as a natural substance and extractive, often incorporated to enhance scent profiles in perfumery, although current recommendations preclude its use in flavor or fragrance formulations due to safety evaluations.
What regulations govern methyl benzyl carbinol and how is its safety assessed?
Regulatory bodies such as FEMA (US) provide frameworks for flavor and fragrance compounds, including methyl benzyl carbinol. However, present recommendations advise against its use in flavor and fragrance products. Safety data indicate no significant acute hazards based on OSHA criteria, and no hazard pictograms or precautionary statements are assigned under GHS classifications. The compound’s toxicity data include an intraperitoneal mouse LD50 of 520 mg/kg with noted behavioral effects in studies, guiding cautious handling and usage. Comprehensive information from agencies like ECHA and FDA UNII is accessible for assessment and compliance purposes.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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: | 2906.29.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | methyl benzyl carbinol |
| Trivial Name | 1-Phenyl-2-propanol |
| Short Description | benzeneethanol, a-methyl- |
| Formula | C9 H12 O |
| CAS Number | 698-87-3 |
| Deleted CAS Number | 14898-87-4 |
| ECHA Number | 211-821-0 |
| FDA UNII | 300Y7TB8EY |
| Nikkaji Number | J69.579C |
| Beilstein Number | 1858667 |
| MDL | MFCD00004540 |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| BOC Sciences | Frinton Laboratories |
| Penta International | Santa Cruz Biotechnology |
| Sigma-Aldrich: Aldrich | Synerzine |
| TCI AMERICA | Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 136.19383239746 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.264 to 8.281 |
| Refractive Index | 1.52 to 1.523 @ 20 °C |
| Boiling Point | 73 to 74°C @ 0.5 mm Hg |
| Boiling Point | 219 to 220°C @ 760 mm Hg |
| Flash Point TCC Value | 85 °C TCC |
| logP (o/w) | 1.97 |
| Solubility | |
| water, 5838 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Floral | |
| rose, floral | |
| Odor strength | low |
| General comment | At 100.00 %. weak rose |
| Flavor Type: Fruity | |
| sweet, pineapple | |
| General comment | Sweet pineapple |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apricot , Chestnut blossom , Peach , Pineapple |
Safety Information
Safety information
| Preferred SDS: View | |
| 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: | |
| intraperitoneal-mouse LD50 520 mg/kg BEHAVIORAL: ANTIPSYCHOTIC BEHAVIORAL: ATAXIA Journal of Pharmaceutical Sciences. Vol. 60, Pg. 799, 1971. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| natural substances and extractives | |||
| Recommendation for methyl benzyl carbinol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for methyl benzyl carbinol flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):698-87-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :94185 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 1-phenylpropan-2-ol |
| Chemidplus:0000698873 |
| RTECS:SG8589500 for cas# 698-87-3 |