4-叔丁基儿茶酚

Description

4-tert-Butylcatechol · CAS 98-29-3 · C10H14O2. UNII 9A069144KR. Boiling Point: 285 °C @760 [mm Hg]; Melting Point: 52 °C; Flash Point: 130 °C.

Identification

CAS Registry Number	98-29-3
PubChem CID	7381
Molecular formula	C10H14O2
IUPAC name	4-tert-butylbenzene-1,2-diol
UNII (FDA)	9A069144KR

Computed Descriptors

Molecular Weight	166.22
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	166.099379685
Monoisotopic Mass	166.099379685
Topological Polar Surface Area	40.5
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	285 °C @760 [mm Hg]
Melting Point	52 °C
Flash Point	130 °C
Density	1.0496 @25 °C
Vapor Pressure	0.0028 [mmHg]
Vapor Pressure	0.0028 [mm Hg] @25 °C

Physical description & handling notes

• Liquid; Dry Powder; Liquid; Other Solid; CBI
• White solid; [CHEMINFO] White or tan, odorless crystalline solid; [MSDSonline]
• Odor Threshold = 1.0 mg/l (detection)
• 139.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5024687]

Regulatory Status

Regulatory & Food Contact	FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
GHS notification summary	1% (27 / 2665)

GHS Hazard Classification

GHS notification summary	1% (27 / 2665)
Reported hazard statements	H302 (87.7%), H311 (18.4%), H312 (87.1%), H314 (98.2%), H317 (34%), H318 (15.9%), H400 (13.3%), H411 (90.7%)

Documented Uses

• Used to inhibit polymerization of styrene-butadiene and other olefins; [Hawley]
• 2023: 1,000,000 - <2,500,000 lb
• 2022: 1,000,000 - <2,500,000 lb
• 2021: 1,000,000 - <2,500,000 lb
• 2020: 50,000,000 - <100,000,000 lb
• All Other Basic Organic Chemical Manufacturing

Synonyms

4-tert-Butylcatechol; 98-29-3; p-tert-Butylcatechol; p-tert-Butyl catechol; Synox TBC; 1,2-Benzenediol, 4-(1,1-dimethylethyl)-; 4-tert-butyl catechol; DTXSID5024687; NSC-5310; 9A069144KR; DTXCID804687; para-tert-butyl catechol; 4-tertiary butyl catechol; RefChem:858183; 202-653-9; 4-(tert-butyl)benzene-1,2-diol

Frequently Asked Questions

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

CAS 98-29-3; molecular formula C10H14O2; molecular weight — g/mol.

What other names is 4-tert-Butylcatechol known by?

4-tert-Butylcatechol, 98-29-3, p-tert-Butylcatechol, p-tert-Butyl catechol, Synox TBC, 1,2-Benzenediol, 4-(1,1-dimethylethyl)-.

What is the regulatory status of 4-tert-Butylcatechol?

Documented regulatory listings: FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is 4-tert-Butylcatechol classified as hazardous?

1% of GHS notifications report no hazard classification (27 of 2665).

What are the key physical properties of 4-tert-Butylcatechol?

Boiling Point: 285 °C @760 [mm Hg]; Melting Point: 52 °C; Flash Point: 130 °C; Density: 1.0496 @25 °C.

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.