EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

6-tert-butyl-meta-cresol
5-methyl-2-(tert-butyl)phenol

Supplier Sponsors

Name:2-tert-butyl-5-methylphenol
CAS Number: 88-60-8Picture of molecule3D/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
FLAVIS Number:04.078 (Old)
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
Odor Strength:medium ,
recommend smelling in a 0.10 % solution or less
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
 
Pictogramexclamation-mark.jpg
 
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
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.500002.50000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.50000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.300001.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.500002.50000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000005.00000
Ready-to-eat savouries (15.0): 2.0000010.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.400002.00000
 
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
NLM Hazardous Substances Data Bank: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 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
2-iso
butyl quinoline
FR
iso
butyl quinoline
FR
iso
butyl quinoline
FR
6-
methyl quinoline
FL/FR
chocolate
vanillyl ethyl ether
FL/FR
coffee
furfuryl mercaptan
FL/FR
floral
alpha-
amyl cinnamyl acetate
FL/FR
cananga oil
FL/FR
cananga oil china
FL/FR
citronellol
FL/FR
dimethyl octanol
FL/FR
floral methanol
FR
orris pyridine 25% IPM
FR
fruity
ethyl 3-hydroxyhexanoate
FL/FR
leather propionate
FR
osmanthus flower absolute
FL/FR
green
3,7-
dimethyl-6-octenoic acid
FL/FR
oakmoss oil
FR
phenoxyacetaldehyde 50% in benzyl alcohol
FR
herbal
saffron indenone
FL/FR
thyme undecane
FR
leathery
4-tert-
butyl phenol
CS
castoreum absolute
FL/FR
leather cyclohexanol
FR
marine
marine pyridine
FR
nutty
2,3-
dimethyl pyrazine
FL/FR
phenolic
2,3-
dimethyl benzofuran
FL/FR
ortho-
guaiacol
FL/FR
4-
methyl-2,6-dimethoxyphenol
FL/FR
piper betle leaf oil
FR
2-
propyl phenol
FL/FR
2,5-
xylenol
FL/FR
smoky
birch tar oil
FL/FR
cade oil
FR
2,6-
dimethoxyphenol
FL/FR
alpha-
ethoxy-ortho-cresol
FL/FR
4-
ethyl phenol
FL/FR
propyl paraben
CS
pyroligneous acids
FL/FR
pyroligneous acids hickory
FL/FR
spicy
cubeb oil
FL/FR
cuminyl alcohol
FL/FR
4-
ethyl guaiacol
FL/FR
4-
methyl guaiacol
FL/FR
pepper tree berry oil
FL/FR
tobacco
3-
ethyl pyridine
FL/FR
woody
guaiacyl acetate
FL/FR
methyl cedryl ketone
FL/FR
For Flavor
No flavor group found for these
benzyl disulfide
FL
birch tar oil
FL/FR
2,6-
dimethoxy-4-vinyl phenol
FL
alpha-
ethoxy-ortho-cresol
FL/FR
2-
furfurylidene butyraldehyde
FL
1-
methyl pyrrole
FL
prenyl mercaptan
FL
2-
propyl phenol
FL/FR
animal
animal
6-
methyl quinoline
FL/FR
caramellic
3-
ethyl pyridine
FL/FR
chemical
2,3-
dimethyl benzofuran
FL/FR
coffee
furfuryl mercaptan
FL/FR
earthy
alpha-
amyl cinnamyl acetate
FL/FR
fatty
dimethyl octanol
FL/FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
citronellol
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
fruity
ethyl 3-hydroxyhexanoate
FL/FR
osmanthus flower absolute
FL/FR
herbal
saffron indenone
FL/FR
leathery
castoreum absolute
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
medicinal
2,6-
dimethoxyphenol
FL/FR
musty
2,5-
xylenol
FL/FR
nutty
2,3-
dimethyl pyrazine
FL/FR
onion
2-
methyl-1,3-dithiolane
FL
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
rummy
vanillyl ethyl ether
FL/FR
smoky
4-
ethyl phenol
FL/FR
pyroligneous acids
FL/FR
pyroligneous acids hickory
FL/FR
dextro-
xylose
FL
spicy
chipotle chili oleoresin
FL
cubeb oil
FL/FR
cuminyl alcohol
FL/FR
pepper tree berry oil
FL/FR
vanilla
4-
methyl guaiacol
FL/FR
woody
4-
ethyl guaiacol
FL/FR
ortho-
guaiacol
FL/FR
guaiacyl acetate
FL/FR
methyl cedryl ketone
FL/FR
 
Potential Uses:
FRleather russian leather
 
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-
 

Articles:

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.
 
Notes:
Blends better than the birch tar.
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