4-叔丁基苯甲酸

Description

4-tert-Butylbenzoic acid · CAS 98-73-7 · C11H14O2. UNII 43Z7T3VN0R. Melting Point: 164.5-165.5 °C; Flash Point: 158 °C; Density: 1.142 @ 20°C.

Identification

CAS Registry Number	98-73-7
PubChem CID	7403
Molecular formula	C11H14O2
IUPAC name	4-tert-butylbenzoic acid
UNII (FDA)	43Z7T3VN0R

Computed Descriptors

Molecular Weight	178.23
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Topological Polar Surface Area	37.3
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Melting Point	164.5-165.5 °C
Flash Point	158 °C
Density	1.142 @ 20°C
Vapor Pressure	0.000636 [mmHg]
LogP	3.59
Ionization Efficiency	1.2
Ionization Efficiency	10.5
Ionization Efficiency	MeCN (80%)

Physical description & handling notes

• Dry Powder; Liquid
• Colorless or white solid; [CHEMINFO] Beige chips or powder; [MSDSonline]
• NEEDLES FROM DILUTE ALCOHOL
• INSOL IN WATER; VERY SOL IN ALCOHOL & BENZENE
• Negative
• Agilent XCT

Regulatory Status

Regulatory & Food Contact	FDA Cumulative Estimated Daily Intake (CEDI): FCS
GHS notification summary	1% (6 / 575)

GHS Hazard Classification

GHS notification summary	1% (6 / 575)
Reported hazard statements	H302, H372, H360 (53.7%), H361 (13.4%), H411 (73.7%), H370, H320, H373

Documented Uses

• Used to modify alkyd resins, to regulate polymerization of polyesters, and to inhibit corrosion; Used as an additive in cutting oils; [CHEMINFO]
• Metal Machining [Category: Heat or Machine]
• Painting (Pigments, Binders, and Biocides) [Category: Paint]
• Not Known or Reasonably Ascertainable
• Cosmetics product ingredient: 4-tert-butylbenzoic acid
• 2022: 1,000,000 - <2,500,000 lb

Synonyms

4-tert-Butylbenzoic acid; 98-73-7; P-TERT-BUTYLBENZOIC ACID; TBBA; Benzoic acid, 4-(1,1-dimethylethyl)-; 4-t-butylbenzoic acid; Benzoic acid, p-tert-butyl-; Benzoic acid, 4-tert-butyl-; DTXSID0040703; 43Z7T3VN0R; NSC-4802; DTXCID8020703; RefChem:100513; 202-696-3; 4-(tert-butyl)benzoic acid; 4-tert-Butyl-benzoic acid

Frequently Asked Questions

What are the CAS number and molecular formula of 4-tert-Butylbenzoic acid?

CAS 98-73-7; molecular formula C11H14O2; molecular weight — g/mol.

What other names is 4-tert-Butylbenzoic acid known by?

4-tert-Butylbenzoic acid, 98-73-7, P-TERT-BUTYLBENZOIC ACID, TBBA, Benzoic acid, 4-(1,1-dimethylethyl)-, 4-t-butylbenzoic acid.

What is the regulatory status of 4-tert-Butylbenzoic acid?

Documented regulatory listings: FDA Cumulative Estimated Daily Intake (CEDI): FCS.

Is 4-tert-Butylbenzoic acid classified as hazardous?

1% of GHS notifications report no hazard classification (6 of 575).

What are the key physical properties of 4-tert-Butylbenzoic acid?

Melting Point: 164.5-165.5 °C; Flash Point: 158 °C; Density: 1.142 @ 20°C; Vapor Pressure: 0.000636 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.