4-tert-Butylbenzoic acid

4-tert-Butylbenzoic acid Basic information

Product Name:	4-tert-Butylbenzoic acid
Synonyms:	4-(1,1-dimethylethyl)-Benzoicacid;4-tbba;4-t-butylbenzoic acid;4-tert-butyl-benzoicaci;P-tect-butylbenzoic acid;PARA-TERTIARYBUTYLBENZOICACID;PARA-TERT-BUTYLBENZOICACID;4-tert-Butylbenzoesure
CAS:	98-73-7
MF:	C11H14O2
MW:	178.23
EINECS:	202-696-3
Product Categories:	PTBBA, Plastic;PTBBA;organic chemical;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organics;OPLAS;C11 to C12;Carbonyl Compounds;Carboxylic Acids;Intermediates;bc0001;98-73-7
Mol File:	98-73-7.mol

4-tert-Butylbenzoic acid Chemical Properties

Melting point	162-165 °C(lit.)
Boiling point	280°C
density	1.045 g/cm³ (30°C)
vapor pressure	<0.01 hPa (20 °C)
refractive index	1.5201 (estimate)
Fp	180 °C
storage temp.	Store below +30°C.
solubility	12.6g/l
pka	4.38(at 25℃)
form	Solid
color	White to Off-White
PH	3.9 (H2O, 20℃)(saturated solution)
Water Solubility	0.07 g/L (20 ºC)
BRN	607545
InChIKey	KDVYCTOWXSLNNI-UHFFFAOYSA-N
LogP	3.4 at 21℃
CAS DataBase Reference	98-73-7(CAS DataBase Reference)
NIST Chemistry Reference	Benzoic acid, p-tert-butyl-(98-73-7)
EPA Substance Registry System	p-tert-Butylbenzoic acid (98-73-7)

Safety Information

Hazard Codes	Xn,N,T
Risk Statements	20/22-62-51/53-48/20/21/22-24
Safety Statements	22-24/25-61-45-36/37/39-28A
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	DG4708000
Autoignition Temperature	>510 °C
TSCA	Yes
HazardClass	6.1
PackingGroup	III
HS Code	29163900
Hazardous Substances Data	98-73-7(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 473 - 735 mg/kg

MSDS Information

Provider	Language
4-tert-Butylbenzoic acid	English
SigmaAldrich	English
ACROS	English
ALFA	English

4-tert-Butylbenzoic acid Usage And Synthesis

Chemical Properties	white to slightly yellow flakes
Uses	Corrosion inhibitor in cooling fluids
Uses	4-tert-Butylbenzoic acid was used as a potent yeast sirtuin (Sir2p) inhibitor.
Definition	ChEBI: 4-t-Butylbenzoic acid is an alkylbenzene.
General Description	4-tert-Butylbenzoic acid was determined in water samples by means of liquid chromatography-electrospray ionisation mass spectrometry (LC-ESI-MS).
Flammability and Explosibility	Nonflammable
Safety Profile	Moderately toxic by ingestion. Experimental reproductive effects. An irritant. Combustible when exposed to heat or flame. Incompatible with oxidzing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.

4-tert-Butylbenzoic acid Preparation Products And Raw materials

Raw materials	Toluene-->4-tert-Butyltoluene
Preparation Products	2-(4-tert-Butylphenyl)-5-(4-biphenyl)-1,3,4-oxadiazole-->4-tert-Butylbenzhydrazide-->4-tert-Butylbenzoyl chloride-->4-TERT-BUTYLBENZYL ALCOHOL-->4-tert-Butylbenzaldehyde-->4-TERT-BUTYLBENZOIC ACID VINYL ESTER-->4-TERT-BUTYL-3',4'-DIMETHOXYBENZOPHENONE-->3-(4-TERT-BUTYL-BENZOYLAMINO)-PROPIONIC ACID(WXC09925)

BOURGEONAL 2-CHLORO-5-NITROBENZYL 4-(TERT-BUTYL)BENZENECARBOXYLATE 4-[(4-([4-(TERT-BUTYL)BENZOYL]OXY)PHENYL)SULFANYL]PHENYL 4-(TERT-BUTYL)BENZENECARBOXYLATE 4-tert-Butylphthalic anhydride 4-t-Butylbenzamide 4-TERT-BUTYL-3-NITROBENZOIC ACID 4-tert-Butylbenzoic acid 2,3-epoxypropyl ester (2,6-DICHLORO-4-PYRIDYL)METHYL 4-(TERT-BUTYL)BENZOATE 4-TERT-BUTYLBENZOIC ACID VINYL ESTER 98+% 2-Hydroxy-5-tert-butylbenzoic acid 1-(([4-(TERT-BUTYL)BENZOYL]OXY)IMINO)CYCLODODECANE 4-BROMO-2-[(([4-(TERT-BUTYL)BENZOYL]OXY)IMINO)METHYL]-1-METHOXYBENZENE AKOS AU36-M82 3-amino-4-tert-butylbenzoic acid 4-TERT-BUTYL-2,6-DIMETHYLBENZOIC ACID 1,1,3-TRIMETHYL-3-PHENYLINDAN-4',5-DICARBOXYLIC ACID ETHYL 4-TERT-BUTYLBENZOATE 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL 4-(TERT-BUTYL)BENZOATE

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