6-tert-butyl-meta-cresol
5-methyl-2-(tert-butyl)phenol
Identification
| Name | 6-tert-butyl-meta-cresol |
| IUPAC | 2-tert-butyl-5-methylphenol |
| CAS Number | 88-60-8 |
| EINECS | 201-842-3 |
| FDA UNII | UXV32MJ2CA |
| Molecular Formula | C11 H16 O |
| Molecular Weight | 164.24772000 |
| MDL Number | MFCD00002308 |
| Nikkaji Number | J101.497H |
| Beilstein | 1908225 |
| XlogP3 | 3.60 (est) |
Regulatory
| 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, 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 |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in dipropylene glycol. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-mouse LD50 [sex: M] 1080 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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 |
| Dairy products, excluding products of category 02.0 (01.0) | 0.50000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.20000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.50000 |
| Processed fruit (04.1) | 0.40000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 1.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.20000 |
| Bakery wares (07.0) | 2.00000 |
| Meat and meat products, including poultry and game (08.0) | 0.20000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.20000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.30000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 0.50000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.20000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 1.00000 |
| Ready-to-eat savouries (15.0) | 2.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.40000 |
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Potential Uses
Natural Occurrence
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-
PubMed:
Synthesis and properties of optically active nanostructured polymers bearing amino acid moieties by direct polycondensation of 4,4'-thiobis(2-tert-butyl-5-methylphenol) with chiral diacids.
PubMed:
Isolation and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1.
PubMed:
Identification of phenolic dermal sensitizers in a wound closure tape.
PubMed:
Thymol and related alkyl phenols activate the hTRPA1 channel.
PubMed:
Uterotrophic assay, Hershberger assay, and subacute oral toxicity study of 4,4'-butylidenebis(2-tert-butyl-5-methylphenol) and 3-(dibutylamino)phenol, based on the OECD draft protocols.
PubMed:
Monoterpenoid agonists of TRPV3.
PubMed:
[Identification of migrants from nitrile-butadiene rubber gloves].
PubMed:
Glucuronidation of propofol and its analogs by human and rat liver microsomes.
PubMed:
Evaluation of leukocyte adhesion on polyurethanes: the effects of shear stress and blood proteins.
PubMed:
Allergic contact dermatitis to two antioxidants in latex gloves: 4,4'-thiobis(6-tert-butyl-meta-cresol) (Lowinox 44S36) and butylhydroxyanisole. Allergen alternatives for glove-allergic patients.
PubMed:
Dermal absorption of the antioxidant 4,4'-thiobis(6-tert-butyl-m-cresol) in Sencar mice and Fischer rats.
PubMed:
A lipid-soluble antioxidant from polyallomer centrifuge tubes.