Preferred name | 4-tert-butyl phenol |
Trivial Name | 4-tert-Butylphenol |
Short Description | para-tert-butylphenol |
Formula | C10 H14 O |
CAS Number | 98-54-4 |
FEMA Number | 3918 |
Flavis Number | 4.064 |
ECHA Number | 202-679-0 |
FDA UNII | O81VMW36CV |
Nikkaji Number | J3.579C |
Beilstein Number | 1817334 |
MDL | MFCD00002367 |
Bio Activity Summary | External link |
NMR Predictor | External link |
JECFA Food Flavoring | 733 4-(1,1-dimethylethyl) phenol |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 98-54-4 ; 4-(1,1-DIMETHYLETHYL)PHENOL |
Synonyms |
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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 |
4-tert-butylphenol | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 98-54-4 |
Pubchem (cid): | 7393 |
Pubchem (sid): | 134971304 |
(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 Substances Added to Food (formerly EAFUS): | View |
FDA Indirect Additives used in Food Contact Substances: | View |
CHEBI: | View |
CHEMBL: | View |
KEGG (GenomeNet): | C14200 |
HMDB (The Human Metabolome Database): | HMDB32063 |
FooDB: | FDB008772 |
Export Tariff Code: | 2907.19.2000 |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Parchem | Penta International |
Sigma-Aldrich | TCI AMERICA |
WholeChem | Penta International Corporation |
Material listed in food chemical codex | No |
Molecular weight | 150.22077941895 |
Vapor Pressure | 0.0381 mmHg @ 25 °C |
Flash Point TCC Value | 93.33 °C TCC |
logP (o/w) | 3.31 |
Solubility | |
alcohol | Yes |
water, 580 mg/L @ 25 °C (exp) | Yes |
water | No |
Odor Type: Leathery | |
oakmoss, leathery | |
General comment | At 1.00 % in propylene glycol. oakmoss leather |
(data available) |
Applications | |
Odor purposes | Animal , Leather |
Cosmetic purposes | Not used anymore |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xi N - Irritant, Dangerous for the environment. | |
R 37/38 - Irritating to respiratory system and skin. R 41 - Risk of serious damage to eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. S 57 - Use appropriate containment to avoid enviromental contamination. S 60 - This material and its container must be disposed of as hazardous waste. 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: | |
oral-rat LD50 3250 ul/kg American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. intraperitoneal-rat LD50 225 mg/kg National Technical Information Service. Vol. OTS0573039 intraperitoneal-mouse LD50 78 mg/kg Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975. oral-mammal (species unspecified) LD50 1500 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980. gavage-rat LD50 [sex: M,F] M: 5360 mg/kg (Klonne et al., 1988) gavage-rat LD50 [sex: M,F] F: 3620 mg/kg (Klonne et al., 1988) gavage-rat LD50 [sex: M] 3.25 ml/kg (Smyth et al., 1969a) oral-rat LD50 1400 mg/kg (Palanker & Denine, 1973) oral-guinea pig LD50 1400 mg/kg Value = LD100 (Dow Chemical Company, 1943) oral-guinea pig LD50 400 mg/kg Value = LD0 (Dow Chemical Company, 1943) | |
Dermal Toxicity: | |
skin-rabbit LD50 2520 ul/kg American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. skin-mammal (species unspecified) LD50 1580 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980. | |
Inhalation Toxicity: | |
inhalation-rat LCLo 5600 mg/m3/4H LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE Drug and Chemical Toxicology. Vol. 11, Pg. 43, 1988. |
Category: | |||
food contact resinous and polymeric coatings | |||
IFRA Critical Effect: | |||
Dermal sensitization, dermal depigmentation | |||
View the IFRA Standard | |||
Recommendation for 4-tert-butyl phenol usage levels up to: | |||
PROHIBITED: Should not be used as a fragrance ingredient. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (μg/capita/day) | ||
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
publication number: 19 | |||
Click here to view publication 19 | |||
average usual ppm | average maximum ppm | ||
baked goods: | 0.10000 | 1.00000 | |
beverages(nonalcoholic): | 0.50000 | 0.50000 | |
beverages(alcoholic): | - | - | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | - | |
condiments / relishes: | - | - | |
confectionery froastings: | - | - | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | - | |
fruit ices: | - | - | |
gelatins / puddings: | 0.01000 | 0.10000 | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | 0.10000 | 2.00000 | |
imitation dairy: | - | - | |
instant coffee / tea: | - | - | |
jams / jellies: | - | - | |
meat products: | - | - | |
milk products: | - | - | |
nut products: | - | - | |
other grains: | - | - | |
poultry: | - | - | |
processed fruits: | - | - | |
processed vegetables: | - | - | |
reconstituted vegetables: | - | - | |
seasonings / flavors: | - | - | |
snack foods: | - | - | |
soft candy: | 1.00000 | 2.00000 | |
soups: | - | - | |
sugar substitutes: | - | - | |
sweet sauces: | - | - |
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 |
Flavouring Group Evaluation 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006) 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 |
NIOSH International Chemical Safety Cards:search |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
Carcinogenic Potency Database:Search |
EPA Substance Registry Services (TSCA):98-54-4 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :7393 |
National Institute of Allergy and Infectious Diseases:Data |
WISER:UN 3077 |
WGK Germany:2 |
4-tert-butylphenol |
Chemidplus:0000098544 |
EPA/NOAA CAMEO:hazardous materials |
RTECS:98-54-4 |