| Identification | More | [Name]
4-tert-Butylbenzoic acid | [CAS]
98-73-7 | [Synonyms]
4-TERT-BUTYLBENZOIC ACID
AKOS BBS-00003714
PTBBA
P-T-BUTYLBENZOIC ACID
P-TERT-BUTYLBENZOIC ACID
RARECHEM AL BO 0693
4-(1,1-dimethylethyl)-benzoicaci
4-(1,1-dimethylethyl)benzoicacid
4-(1,1-dimethylethyl)-Benzoicacid
4-tbba
4-t-butylbenzoic acid
4-tert-butyl-benzoicaci
acidetert-butyl-4benzoique
Benzoic acid, 4-(1,1-dimethylethyl)-
Benzoicacid,4-(1,1-dimethylethyl)-
butylbenzoicacid
Kyselina p-terc.butylbenzoova
kyselinap-terc.butylbenzoova
p-sec-Butylbenzoic acid
p-Secondary-butylbenzoic acid | [EINECS(EC#)]
202-696-3 | [Molecular Formula]
C11H14O2 | [MDL Number]
MFCD00002563 | [Molecular Weight]
178.23 | [MOL File]
98-73-7.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE TO YELLOW FLAKES | [Melting point ]
162-165 °C(lit.)
| [Boiling point ]
280°C | [bulk density]
340kg/m3 | [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 | [form ]
Solid | [pka]
4.38(at 25℃) | [color ]
White to Off-White | [PH]
3.9 (H2O, 20℃)(saturated solution) | [Water Solubility ]
0.07 g/L (20 ºC) | [BRN ]
607545 | [Henry's Law Constant]
3.5×101 mol/(m3Pa) at 25℃, Zhang et al. (2010) | [Cosmetics Ingredients Functions]
PERFUMING
FRAGRANCE | [InChI]
1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13) | [InChIKey]
KDVYCTOWXSLNNI-UHFFFAOYSA-N | [SMILES]
CC(C)(C)c1ccc(cc1)C(O)=O | [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]
98-73-7(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS07,GHS08 | [Signal word ]
Danger | [Hazard statements ]
H302-H360F-H372-H412 | [Precautionary statements ]
P202-P260-P264-P273-P301+P312-P308+P313 | [Hazard Codes ]
Xn,N,T | [Risk Statements ]
R20/22:Harmful by inhalation and if swallowed .
R62:Possible risk of impaired fertility.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R48/20/21/22:Harmful: danger of serious damage to health by prolonged exposure through inhalation, and in contact with skin and if swallowed .
R24:Toxic in contact with skin. | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [RTECS ]
DG4708000
| [Autoignition Temperature]
>510 °C | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29163900 | [Storage Class]
6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Chronic 3
Repr. 1B
STOT RE 1 | [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. | [Hazardous Substances Data]
98-73-7(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 473 - 735 mg/kg |
| Hazard Information | Back Directory | [Description]
4-tert-Butylbenzoic acid is obtained by the liquid-phase air oxidation of 4-tert-butyltoluene (prepared from toluene and isobutylene). It is a modifier for alkyd resins and a polymerization regulator for polyesters. It is also used as an additive in cutting oils and as a corrosion inhibitor. It is hydrogenated to afford the fragrance 4- tert-butylbenzaldehyde. | [Chemical Properties]
white to slightly yellow flakes | [Uses]
Corrosion inhibitor in cooling fluids | [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 |
|
| Company Name: |
Jinan Wald Chemical Co., Ltd. Gold
|
| Telephone: |
0531-88773586 13210588999 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList1770979/0_EN.htm |
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|