Articles:
5-methyl-2-(tert-butyl)phenol
Notes:
Blends better than the birch tar.
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 13-31800 5-METHYL-2-TERT-BUTYLPHENOL
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): B0718 6-tert-Butyl-m-cresol >97.0%(GC)
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| CAS Number: | 88-60-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 201-842-3 | |
| FDA UNII: | UXV32MJ2CA | |
| Nikkaji Web: | J101.497H | |
| Beilstein Number: | 1908225 | |
| MDL: | MFCD00002308 | |
| XlogP3: | 3.60 (est) | |
| Molecular Weight: | 164.24772000 | |
| Formula: | C11 H16 O | |
| 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 |
| DG SANTE Food Flavourings: | 04.078 5-methyl-2-(tert-butyl)phenol |
Physical Properties:
| Appearance: | pale yellow clear oily liquid to solid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96500 to 0.96900 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.039 to 8.072 |
| Refractive Index: | 1.51700 to 1.52100 @ 20.00 °C. |
| Melting Point: | 23.00 to 28.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 117.00 to 118.00 °C. @ 12.00 mm Hg |
| Boiling Point: | 242.00 to 244.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.063000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 222.00 °F. TCC ( 105.56 °C. ) |
| logP (o/w): | 3.970 |
| Soluble in: | |
| alcohol | |
| water, 101.3 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: animal | |
| leathery animal | |
| Odor Description: at 0.10 % in dipropylene glycol. | russian leather |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 2-tert-Butyl-5-methylphenol 95% |
| Frinton Laboratories |
| For experimental / research use only. |
| 2-tert-Butyl-5-methylphenol |
| Penta International |
| 5-METHYL-2-TERT-BUTYLPHENOL |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2-tert-Butyl-5-methylphenol |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 6-tert-Butyl-meta-cresol |
| TCI AMERICA |
| For experimental / research use only. |
| 6-tert-Butyl-m-cresol >97.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 4), H302 Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P271 - Use only outdoors or in a well-ventilated area. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P330 - Rinse mouth. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
|
gavage-mouse LD50 [sex: M] 1080 mg/kg (McOmie et al., 1949) oral-mouse LD50 1080 mg/kg Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949. | |
| 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 | |||
| Recommendation for 6-tert-butyl-meta-cresol usage levels up to: | |||
| 0.0200 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.061 (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 (05.0): | - | - | |
| 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): | 88-60-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6937 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 3145 |
| WGK Germany: | 2 |
| 2-tert-butyl-5-methylphenol | |
| Chemidplus: | 0000088608 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | SK1578180 for cas# 88-60-8 |
References:
| 2-tert-butyl-5-methylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 88-60-8 |
| Pubchem (cid): | 6937 |
| Pubchem (sid): | 134972343 |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2907.19.1000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| leather russian leather | FR |
Occurrence (nature, food, other): note
| milk powder - 0.0051 mg/kg Search PMC Picture |
Synonyms:
| benzene, 1-tert-butyl-2-hydroxy-4-methyl- | |
| 6-tert- | butyl-3-cresol |
| 4-tert- | butyl-3-methyl phenol |
| 4-tert- | butyl-3-methylphenol |
| 6-tert- | butyl-3-methylphenol |
| 2-tert- | butyl-5-methyl phenol |
| 2-tert- | butyl-5-methylphenol |
| 6-tert- | butyl-m-cresol |
| p-tert- | butyl-m-cresol |
| para-tert- | butyl-meta-cresol |
| 2-(tert- | butyl)-5-methylphenol |
| m- | cresol, 6-tert-butyl- |
| 2-(1,1- | dimethylethyl)-5-methylphenol |
| 5- | methyl-2-(2-methyl-2-propanyl)phenol |
| 5- | methyl-2-(tert-butyl) phenol |
| 5- | methyl-2-(tert-butyl)phenol |
| 5- | methyl-2-tert-butylphenol |
| 3- | methyl-6-tert-butylphenol |
| phenol, 2- (1, 1-dimethylethyl)-5-methyl- | |
| phenol, 2-(1,1-dimethylethyl)-5-methyl- | |
| phenol, 2-tert-butyl-5-methyl- |