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ortho-cresol
General Material Information
| Preferred name | ortho-cresol |
| Trivial Name | o-Cresol |
| Short Description | o-cresol |
| Formula | C7 H8 O |
| CAS Number | 95-48-7 |
| FEMA Number | 3480 |
| Flavis Number | 4.027 |
| ECHA Number | 202-423-8 |
| FDA UNII | YW84DH5I7U |
| Nikkaji Number | J1.176B |
| Beilstein Number | 0506917 |
| MDL | MFCD00002226 |
| COE Number | 618 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 691 o-cresol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 95-48-7 ; O-CRESOL |
| 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 |
Literature & References
| 2-methylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 95-48-7 |
| Pubchem (cid): | 335 |
| Pubchem (sid): | 134971878 |
| Flavornet: | 95-48-7 |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| UM BBD: | Search |
| KEGG (GenomeNet): | C01542 |
| HMDB (The Human Metabolome Database): | HMDB02055 |
| FooDB: | FDB008785 |
| YMDB (Yeast Metabolome Database): | YMDB01457 |
| Export Tariff Code: | 2907.12.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| Wikipedia: | View |
| Wikipedia2: | View2 |
| Formulations/Preparations: •grades: according to freezing point: 25, 29, 30, 30.5 deg c ... •pure cresol is a mixture of ortho-, meta- and para- isomers. crude cresol (commercial cresol) is a mixture of aromatic cmpd containing about 20% of o-cresol, 40% of m-cresol, and 30% of p-cresol with small amount of phenol and xylenols. | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 108.13996124268 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.704 to 8.745 |
| Refractive Index | 1.548 to 1.559 @ 20 °C |
| Melting Point | 30 to 34°C @ 760 mm Hg |
| Boiling Point | 191 to 192°C @ 760 mm Hg |
| Boiling Point | 110 to 111°C @ 50 mm Hg |
| Vapor Pressure | 0.03 mmHg @ 20 °C |
| Vapor Density | 3.72 |
| Flash Point TCC Value | 81.11 °C TCC |
| logP (o/w) | 1.95 |
| Solubility | |
| alcohol | Yes |
| water, 9066 mg/L @ 25 °C (est) | Yes |
| water, 2.59E+04 mg/L @ 25 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Phenolic | |
| musty, phenolic, plastic, medicinal, herbal, leathery | |
| Odor strength | high , recommend smelling in a 0.01 % solution or less |
| Substantivity | 41 hour(s) at 100.00 % |
| Luebke, William tgsc, (1995) | At 0.01 % in dipropylene glycol. musty phenolic plastic medicinal herbal leathery |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia, Castoreum |
| Other purposes | Antimicrobial agents |
| Cosmetic purposes | Antimicrobial agents, Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| T - Toxic. | |
| R 24/25 - Toxic in contact with skin and if swallowed. R 34 - Causes burns. S 02 - Keep out of the reach of children. 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: | |
| oral-rat LD50 121 mg/kg (E.I. du Pont de Nemours & Company, 1969b) oral-mouse LD50 344 mg/kg (E.I. du Pont de Nemours & Company, 1969b) gavage-rat LD50 [sex: M,F] 300 mg/kg (Bailey, 1983) gavage-rat LD50 [sex: M,F] 530 mg/kg Substance administered as a 2 % or 5 % aqueous solution. (Deichmann & Witherup gavage-rat LD50 [sex: M,F] 540 mg/kg Substance administered as a 10 % aqueous solution. (Deichmann & Witherup gavage-rat LD50 [sex: M,F] 340 mg/kg Substance administered as a 20 % aqueous solution. (Deichmann & Witherup gavage-rat LD50 [sex: F] 400 mg/kg (Berman et al., 1995) oral-rat LD50 121 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH LUNGS, THORAX, OR RESPIRATION: DYSPNEA IBIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 4-5/1969 oral-rabbit LDLo 940 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944. intravenous-rabbit LDLo 180 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944. intraperitoneal-mouse LDLo 200 mg/kg Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952. oral-mouse LD50 344 mg/kg Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974. intraperitoneal-guinea pig LDLo 720 mg/kg "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 890 mg/kg Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977. skin-rat LD50 620 mg/kg Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974. subcutaneous-rat LDLo 65 mg/kg SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895. subcutaneous-rabbit LDLo 450 mg/kg "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935. subcutaneous-mouse LDLo 410 mg/kg Zeitschrift fuer Hygiene und Infektionskrankheiten. Vol. 64, Pg. 113, 1909. subcutaneous-guinea pig LDLo 35 mg/kg BEHAVIORAL: EXCITEMENT SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895. subcutaneous-frog LDLo 200 mg/kg "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935. subcutaneous-cat LDLo 55 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944. | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 > 1220 mg/m3/1H SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 4-5/1969 inhalation-mouse LC50 179 mg/m3/2H "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 40, 1982. | |
Safety in use information
| Category: | |||
| food contact resinous and polymeric coatings | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for ortho-cresol usage levels up to: | |||
| 0.0100 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 250.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (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: 10. Update in publication number(s): 29 | |||
| Click here to view publication 10 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | 0.80000 | 20.00000 | |
| breakfast cereal: | 0.10000 | 0.50000 | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.10000 | 0.50000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 0.10000 | 0.50000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.10000 | 0.50000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.10000 | 0.50000 | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | 0.10000 | 0.50000 | |
| 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 |
| Flavouring Group Evaluation 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006) 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 |
| EPA-Iris:IRIS |
| NIOSH International Chemical Safety Cards:search |
| NIOSH Pocket Guide:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):95-48-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :335 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3455 |
| WGK Germany:2 |
| 2-methylphenol |
| Chemidplus:0000095487 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:95-48-7 |