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4-isopropyl phenol
General Material Information
| Preferred name | 4-isopropyl phenol |
| Trivial Name | 4-Isopropylphenol |
| Short Description | phenol, 4-(1-methylethyl)- |
| Formula | C9 H12 O |
| CAS Number | 99-89-8 |
| Flavis Number | 4.073 |
| ECHA Number | 202-798-8 |
| FDA UNII | 9F59JOO816 |
| Nikkaji Number | J43.396I |
| Beilstein Number | 1363564 |
| MDL | MFCD00002372 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| 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
| 4-propan-2-ylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 99-89-8 |
| Pubchem (cid): | 7465 |
| Pubchem (sid): | 134972064 |
| Pherobase: | View |
| Publications by US Patents | |
| 3,946,080 - Flavouring and perfuming ingredients | |
| Furfurylthioacetone | |
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 Indirect Additives used in Food Contact Substances: | View |
| CHEMBL: | View |
| UM BBD: | Search |
| HMDB (The Human Metabolome Database): | HMDB29667 |
| FooDB: | FDB005302 |
| Export Tariff Code: | 2907.19.8000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Penta International | Santa Cruz Biotechnology |
| Sigma-Aldrich: Aldrich | TCI AMERICA |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 136.19383239746 |
| Melting Point | 60 to 64°C @ 760 mm Hg |
| Boiling Point | 222 to 223°C @ 760 mm Hg |
| Boiling Point | 112 to 115°C @ 12 mm Hg |
| Vapor Pressure | 0.147 mmHg @ 25 °C |
| Flash Point TCC Value | 95.3 °C TCC |
| logP (o/w) | 2.9 |
| Solubility | |
| alcohol | Yes |
| water, 1102 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Woody | |
| woody, warm, spicy, medicinal | |
| General comment | At 1.00 % in dipropylene glycol. woody warm spicy medicinal |
| Flavor Type: Burnt | |
| burnt, phenolic | |
| General comment | Burnt phenolic |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Flavoring purposes | Spice |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| C N - Corrosive, Dangerous for the environment. | |
| R 22 - Harmful if swallowed. R 34 - Causes burns. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 43 - May cause sensitisation by skin contact. 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. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| 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 40 mg/kg BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980. oral-mouse LD50 875 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(1), Pg. 94, 1981. intraperitoneal-mouse LDLo 250 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 339, 1953. | |
| 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): | 0.24 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 420 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.50000 | 2.50000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.50000 | 2.50000 | |
| Processed fruit (04.1): | 0.40000 | 2.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 1.00000 | 5.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 | |
| Bakery wares (07.0): | 2.00000 | 10.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.20000 | 1.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.20000 | 1.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.30000 | 1.50000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.50000 | 2.50000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.20000 | 1.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 5.00000 | |
| Ready-to-eat savouries (15.0): | 2.00000 | 10.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.40000 | 2.00000 | |
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 |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):99-89-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7465 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2430 |
| WGK Germany:2 |
| 4-propan-2-ylphenol |
| Chemidplus:0000099898 |
| RTECS:SL5950000 for cas# 99-89-8 |