3,5-Di-tert-butyl-4-hydroxybenzoic acid

Names

[ Name ]:
3,5-Di-tert-butyl-4-hydroxybenzoic acid

[Synonym ]:
EINECS 215-823-2
3,5-Di-tert-butyl-4-hydroxybenzoic Acid
MFCD00008827
3,5-ditert-butyl-4-hydroxybenzoic acid

Chemical & Physical Properties

[ Density]:
1.07 g/cm3

[ Boiling Point ]:
340.6ºC at 760 mmHg

[ Melting Point ]:
206-209 °C(lit.)

[ Molecular Formula ]:
C₁₅H₂₂O₃

[ Molecular Weight ]:
250.33300

[ Flash Point ]:
174ºC

[ Exact Mass ]:
250.15700

[ PSA ]:
57.53000

[ LogP ]:
3.68540

[ Vapour Pressure ]:
3.28E-05mmHg at 25°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG6320000

CHEMICAL NAME :: Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-

CAS REGISTRY NUMBER :: 1421-49-4

BEILSTEIN REFERENCE NO. :: 2216948

LAST UPDATED :: 199710

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C15-H22-O3

MOLECULAR WEIGHT :: 250.37

WISWESSER LINE NOTATION :: 1X1&1&R BQ EVQ CX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5223 mg/kg/1W-C

TOXIC EFFECTS :: Blood - change in clotting factors

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 25 umol/L

REFERENCE :: BBRCA9 Biochemical and Biophysical Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 80,963,1978

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DG6320000

[ HS Code ]:
2918290000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2,6-Di-tert-butylphenol
Carbon dioxide
3,5-ditert-butyl-4-hydroxybenzoyl chloride
1-ethyl-3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienyl 3,5-di-tert-butyl-4-hydroxyperbenzoate
1-isopropyl-3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienyl 3,5-di-tert-butyl-4-hydroxyperbenzoate
1,3,5-tri-tert-butyl-4-oxo-2,5-cyclohexadienyl 3,5-di-tert-butyl-4-hydroxyperbenzoate
1-methyl-3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienyl 3,5-di-tert-butyl-4-hydroxyperbenzoate
3,5-di-tert-Butyl-4-hydroxybenzonitrile
3,5-di-tert-butyl-4-hydroxybenzaldehyde
3,5-DI-TERT-BUTYL-4-HYDROXYACETOPHENONE

DownStream

2,6-Di-tert-butyl-p-benzoquinone
3,3',5,5'-Tetra-tert-butyldiphenoquinone
7-tert-Butyl-2-methyl-5-benzoxazolcarbonsaeure
3,5-Di-tert-butyl-4-hydroxybenzyl alcohol
Dinoterb
ETHYL3,5-DI-TERT-BUTYL-4-HYDROXYBENZOATE
2,6-ditert-butyl-4-(piperazin-1-ylmethyl)phenol
Methyl 3,5-di-tert-butyl-4-hydroxybenzoate
3,5-ditert-butyl-4-hydroxy-N-(4-nitrophenyl)benzamide
methyl 3,5-ditert-butyl-4-methoxybenzoate

Customs

[ HS Code ]: 2918290000

[ Summary ]:
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

Articles

Human exposure assessment to a large set of polymer additives through the analysis of urine by solid phase extraction followed by ultra high performance liquid chromatography coupled to tandem mass spectrometry.

J. Chromatogr. A. 1423 , 111-23, (2015)

Polymer items are extensively present in the human environment. Humans may be consequently exposed to some compounds, such as additives, incorporated in these items. The objective of this work is to a...

Potent human uric acid transporter 1 inhibitors: in vitro and in vivo metabolism and pharmacokinetic studies.

Drug Des. Devel. Ther. 6 , 323-39, (2012)

Human uric acid transporter 1 (hURAT1; SLC22A12) is a very important urate anion exchanger. Elevated urate levels are known to play a pivotal role in cardiovascular diseases, chronic renal disease, di...

Determination of synthetic phenolic antioxidants and their metabolites in water samples by downscaled solid-phase extraction, silylation and gas chromatography-mass spectrometry.

J. Chromatogr. A. 1217(41) , 6428-35, (2010)

The development and performance evaluation of an analytical method dedicated to the comprehensive determination of the most relevant antioxidants and their metabolites in aqueous environmental samples...

3,5-Di-tert-butyl-4-hydroxybenzoic acid
3,5-Di-tert-butyl-4-hydroxybenzoic acid
3,5-Di-tert-butyl-4-hydroxybenzoic acid hexadecyl ester
3,5-di-tert-butyl-4-hydroxybenzoic acid 2,4-di-tert-butyl-phenyl ester
3,5-di-tert-Butyl-4-hydroxybenzonitrile
3,5-di-tert-butyl-4-hydroxyphenylacetic acid
3-Methyl-4-[(pent-4-yn-2-yl)amino]benzoic acid
2-[(Pent-4-yn-2-yl)amino]-1,3-oxazole-4-carboxylic acid
2-Methyl-6-[(pent-4-yn-2-yl)amino]pyridine-4-carboxylic acid
5-[(Pent-4-yn-2-yl)amino]pyridine-2-carboxylic acid
2-[(Pent-4-yn-2-yl)amino]pyridine-4-carboxylic acid
5-[(Pent-4-yn-2-yl)amino]furan-2-carboxylic acid
2-[(Pent-4-yn-2-yl)amino]benzoic acid
4-Methyl-2-[(pent-4-yn-2-yl)amino]pyrimidine-5-carboxylic acid
6-[(Pent-4-YN-2-YL)amino]pyridine-3-carboxylic acid
2-Chloro-6-[(pent-4-yn-2-yl)amino]pyridine-4-carboxylic acid

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