dimethyl benzyl carbinol, 100-86-7
- ️the good scents company,www.thegoodscentscompany.com
| Fragrance Demo Formulas | ||
| Name: | 2-methyl-1-phenylpropan-2-ol | |
| CAS Number: | 100-86-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 202-896-0 | |
| FDA UNII: | N95NCI59MI | |
| Nikkaji Web: | J9.769A | |
| Beilstein Number: | 1855608 | |
| MDL: | MFCD00004465 | |
| FEMA Number: | 2393 | |
| CoE Number: | 84 | |
| XlogP3: | 2.20 (est) | |
| Molecular Weight: | 150.22078000 | |
| Formula: | C10 H14 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 |
| JECFA Food Flavoring: | 1653 alpha,alpha-dimethylphenethyl alcohol |
| Flavis Number: | 02.035 (Old) |
| DG SANTE Food Flavourings: | 02.035 2-methyl-1-phenylpropan-2-ol |
| FEMA Number: | 2393 alpha,alpha-dimethylphenethyl alcohol |
| FDA Mainterm: | ALPHA,ALPHA-DIMETHYLPHENETHYL ALCOHOL |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid to solid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97300 to 0.97600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.096 to 8.121 |
| Refractive Index: | 1.51200 to 1.51800 @ 20.00 °C. |
| Melting Point: | 23.00 to 24.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 215.00 to 216.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 108.00 °C. @ 11.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.089000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 182.00 °F. TCC ( 83.33 °C. ) |
| logP (o/w): | 2.270 (est) |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| fixed oils | |
| paraffin oil | |
| propylene glycol | |
| water, slightly | |
| water, 2029 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| glycerin | |
| Stability: | |
| acid cleaner | |
| alcoholic lotion | |
| antiperspirant | |
| bleach | |
| deo stick | |
| detergent perborate | |
| fabric softener | |
| liquid detergent | |
| non-discoloring in most media | |
| shampoo | |
| soap |
Organoleptic Properties:
| Odor Type: | floral |
| Odor Strength: | low |
| Odor Description: at 100.00 %. | clean floral green rose cortex oily rhubarb |
| Substantivity: | 6 hour(s) at 100.00 % |
Cosmetic Information:
Safety Information:
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Human Experience: | 8 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 1280 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
oral-guinea pig LD50 988 mg/kg | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 531, 1974. | |
| Inhalation Toxicity: | |
| Not determined |
Safety in Use Information:
| Category: | flavor and fragrance agents | |
| Recommendation for dimethyl benzyl carbinol usage levels up to: | ||
| 8.0000 % in the fragrance concentrate. | ||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 19.00 (μg/capita/day) | |
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 12.00 (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: 3 | ||
| Click here to view publication 3 | ||
| average usual ppm | average maximum ppm | |
| baked goods: | - | 4.90000 |
| beverages(nonalcoholic): | - | 3.30000 |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | 100.00000 |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | 3.20000 |
| fruit ices: | - | 3.20000 |
| gelatins / puddings: | - | 0.01000 |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | - | 4.00000 |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | 3.20000 |
| meat products: | - | - |
| milk products: | - | - |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | - |
| soft candy: | - | - |
| 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): | |
| Flavouring Group Evaluation 89 (FGE.89): Consideration of phenyl-substituted aliphatic tertiary alcohols and related aldehydes and esters evaluated by JECFA (63rd and 68th meetings) structurally related to aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters evaluated by EFSA in FGE.18Rev1 (2009) View page or View pdf | |
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 100-86-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7531 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2-methyl-1-phenylpropan-2-ol | |
| Chemidplus: | 0000100867 |
| RTECS: | SG8050000 for cas# 100-86-7 |
References:
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31570 |
| FooDB: | FDB008187 |
| Export Tariff Code: | 2906.29.6000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| benzeneethanol, a,a-dimethyl- | |
| benzyl dimethyl carbinol | |
| benzyl propyl alcohol | |
| 2- | benzyl-2-propanol |
| benzyldimethylcarbinol | |
| alpha,alpha- | dimethyl benzene ethanol |
| dimethyl benzyl carbinol FCC | |
| alpha,alpha- | dimethyl phenethanol |
| alpha,alpha- | dimethyl phenethyl alcohol |
| 1,1- | dimethyl phenyl ethanol |
| alpha,alpha- | dimethyl phenyl ethyl alcohol |
| 1,1- | dimethyl-2-phenyl ethanol |
| 1,1- | dimethyl-2-phenylethanol |
| 1,1- | dimethyl-2-phenylethyl alcohol |
| a,a- | dimethylbenzeneethanol |
| dimethylbenzylcarbinol | |
| a,a- | dimethylphenethanol |
| a,a- | dimethylphenethyl alcohol |
| alpha,alpha- | dimethylphenethyl alcohol |
| DMBC | |
| 2- | hydroxy-2-methyl-1-phenyl propane |
| 2- | hydroxy-2-methyl-1-phenylpropane |
| 2- | methyl-1-phenyl propan-2-ol |
| 2- | methyl-1-phenyl-2-propanol |
| 2- | methyl-1-phenylpropan-2-ol |
| phenethyl alcohol, a,a-dimethyl- | |
| 1- | phenyl-2-hydroxy-2-methylpropane |
| phenyl-tert-butanol | |
| beta- | phenyl-tert-butyl alcohol |
| propan-2-ol, 2-methyl-1-phenyl- |
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