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2-isopropyl phenol
General Material Information
| Preferred name | 2-isopropyl phenol |
| Trivial Name | 2-Isopropylphenol |
| Short Description | 2-isopropylphenol |
| Formula | C9 H12 O |
| CAS Number | 88-69-7 |
| FEMA Number | 3461 |
| Flavis Number | 4.044 |
| ECHA Number | 201-852-8 |
| FDA UNII | B2899Z0Q2U |
| Nikkaji Number | J44.155D |
| Beilstein Number | 1363322 |
| MDL | MFCD00002224 |
| COE Number | 11234 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 697 2-isopropylphenol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 88-69-7 ; 2-ISOPROPYLPHENOL |
| Synonyms |
|
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB32029 |
| FooDB: | FDB008729 |
| Export Tariff Code: | 2907.19.2000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Beijing Lys Chemicals | LBB Specialties |
| EMD Millipore | Parchem |
| Penta International | Santa Cruz Biotechnology |
| Sigma-Aldrich | Synerzine |
| TCI AMERICA | WholeChem |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 136.19383239746 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.229 to 8.313 |
| Refractive Index | 1.525 to 1.53 @ 20 °C |
| Melting Point | 14 to 16°C @ 760 mm Hg |
| Boiling Point | 212 to 214°C @ 760 mm Hg |
| Vapor Pressure | 0.112 mmHg @ 25 °C |
| Flash Point TCC Value | 88.89 °C TCC |
| logP (o/w) | 2.88 |
| Solubility | |
| alcohol | Yes |
| water, 1146 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Phenolic | |
| medicinal, phenolic, solvent, smoky, toasted, woody, burnt, rubbery | |
| General comment | At 0.10 % in propylene glycol. medicinal creosote phenolic |
| Mosciano, Gerard, (2009) | At 1.00 %. solvent like, phenolic, smoky with toasted woody and burnt rubber nuances |
| Flavor Type: Solvent | |
| solvent, woody, smoky, whiskey, resinous, burnt, rubbery | |
| Mosciano, Gerard, (2009) | At 10.00 ppm. solvent like, shoe polish, woody smoky, aged scotch and whiskey like with tar and burnt rubber nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Other purposes | Creosote |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| T - Toxic. | |
| R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R 34 - Causes burns. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 28 - After contact with skin, wash immediately with plenty of water. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately. | |
| 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: | |
| intravenous-mouse LD50 100 mg/kg BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 14.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.30 (μg/capita/day) | ||
| 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: 9 | |||
| Click here to view publication 9 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 2.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 3.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 3.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | 2.00000 | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 3.00000 | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25 View page or View pdf |
| Scientific Opinion on the safety and efficacy of phenol derivatives containing ring-alkyl, ring-alkoxy and side-chains with an oxygenated functional group (chemical group 25) when used as flavourings for all species View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):88-69-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6943 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3145 |
| WGK Germany:3 |
| 2-propan-2-ylphenol |
| Chemidplus:0000088697 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:SL5900000 for cas# 88-69-7 |