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6-tert-butyl-meta-cresol

Chemical Structure

General Material Information

Preferred name 6-tert-butyl-meta-cresol
Trivial Name 3-Methyl-6-tert-butylphenol
Short Description 5-methyl-2-(tert-butyl)phenol
Formula C11 H16 O
CAS Number 88-60-8
Flavis Number 4.078
ECHA Number 201-842-3
FDA UNII UXV32MJ2CA
Nikkaji Number J101.497H
Beilstein Number 1908225
MDL MFCD00002308
NMR Predictor External link
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-
  • 2-tert-butyl-5-methylphenol
  • m-Cresol, 6-tert-butyl-
  • 2-(1,1-Dimethylethyl)-5-methylphenol
  • 6-tert-Butyl-m-cresol
  • 3-Methyl-6-tert-butylphenol
  • 6-tert-Butyl-3-methylphenol
  • 5-Methyl-2-tert-butylphenol
  • NSC 48467
  • 6-tert-Butyl-3-cresol

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 164.24772644043
Specific gravity @ 20 °C
Pounds per Gallon 8.039 to 8.072
Refractive Index 1.517 to 1.521 @ 20 °C
Melting Point 23 to 28°C @ 760 mm Hg
Boiling Point 117 to 118°C @ 12 mm Hg
Boiling Point 242 to 244°C @ 760 mm Hg
Vapor Pressure 0.063 mmHg @ 25 °C
Flash Point TCC Value 105.56 °C TCC
logP (o/w) 3.97
Solubility
alcohol Yes
water, 101.3 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Animal
leathery, animal
General comment At 0.10 % in dipropylene glycol. russian leather

Occurrences

Potential Uses

Applications
Odor purposes Leather russian leather

Safety Information

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
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/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
Chewing gum (05.3): --
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
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