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3-tert-butyl-4-hydroxyanisole

CAS 121-00-6C11H16O2MW 180.24

3-tert-butyl-4-hydroxyanisole (CAS 121-00-6) — formula C11H16O2, molecular weight 180.24; category organic chemicals.

Product Overview

CAS Number121-00-6
Molecular FormulaC11H16O2
Molecular Weight180.24
Melting Point118 to 131 °F (NTP, 1992)
Boiling Point507 to 518 °F at 733 mmHg (NTP, 1992)
LogP3.2
CategoryOrganic Chemicals

Technical Profile

What this product is

3-tert-butyl-4-hydroxyanisole is a carbon-based organic compound with CAS registry number 121-00-6 and molecular formula C11H16O2 (molecular weight 180.24), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 121-00-6

Its molecular formula C11H16O2 comprises 11 C, 16 H, 2 O atoms.

Also known as: 3-tert-butyl-4-hydroxyanisole · 3-叔丁基-4-羟基苯甲醚

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 3-tert-butyl-4-hydroxyanisole?

The CAS registry number of 3-tert-butyl-4-hydroxyanisole is 121-00-6.

What is the molecular formula and molecular weight of 3-tert-butyl-4-hydroxyanisole?

Molecular formula C11H16O2, molecular weight 180.24.

What other names is 3-tert-butyl-4-hydroxyanisole known by?

It is also registered under: 3-tert-butyl-4-hydroxyanisole, 3-叔丁基-4-羟基苯甲醚.

Which category does 3-tert-butyl-4-hydroxyanisole belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 3-tert-butyl-4-hydroxyanisole (CAS 121-00-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number121-00-6
PubChem CID8456
Molecular formulaC11H16O2
IUPAC name2-tert-butyl-4-methoxyphenol
UNII (FDA)62RAC24292
FEMA number2183

Computed descriptors

Molecular Weight180.24
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass180.115029749
Monoisotopic Mass180.115029749
Topological Polar Surface Area29.5
Heavy Atom Count13

Physicochemical values on record

Boiling Point507 to 518 °F at 733 mmHg (NTP, 1992)
Boiling Point268 °C
Melting Point118 to 131 °F (NTP, 1992)
Melting Point51 °C
Flash Point313 °F (NTP, 1992)
Flash Point156 °C
Flash Point113 °C (235 °F) - closed cup
Solubility1% in glycerine at 100 °C
Vapor Pressure0.00248 [mmHg]
Formulations/PreparationsFood Grade, 98.5+%.

Documented uses on record

    CIR ingredient: Butylated HydroxyanisoleUsed as a food and cosmetic preservative; [Kanerva, p. 1758] Used as an antioxidant in many foods since 1947; Also used in cosmetics such as lipstick and eye shadow; [IARC]

    Synonyms and trade names

    25013-16-5; tert-Butyl-4-hydroxyanisole; Phenol, (1,1-dimethylethyl)-4-methoxy-; 2(3)-tert-Butyl-4-hydroxyanisole; Antrancine 12; Nipantiox 1-F; Tenox BHA; Butylohydroksyanizol; Butyl hydroxyanisole; BOA (antioxidant); Sustane 1-F; EEC No. E320; Premerge plus; Phenol, tert-butyl-4-methoxy-; DTXSID7020215; Nipantiox 1F

    Regulatory listings held on file

    Regulatory & Food ContactFDA Substance added to food: ANTIMICROBIAL AGENT, ANTIOXIDANT, DOUGH STRENGTHENER, FLAVOR ENHANCER, FLOUR TRE
    FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
    ANTIOXIDANT: Food Additives
    ANTIMICROBIAL AGENT, ANTIOXIDANT, DOUGH STRENGTHENER, FLAVOR ENHANCER, FLOUR TREATING AGENT, OXIDIZING OR REDU
    BHA
    JECFA ADI: 0-0.5 mg/kg bw
    GHS notification summary5.5% (47 / 847)

    GHS hazard classification

    GHS notification summary5.5% (47 / 847)
    Reported hazard statementsH302 (34%), H315 (52.5%), H319 (76.2%), H335 (19.8%), H351 (68.9%), H361 (18.3%), H411 (42%), H317

    This chemical does not meet GHS hazard criteria for 5.5% (47 of 847) of reports.

    H302 (34%): Harmful if swallowed [Warning Acute toxicity, oral]

    What the public record says

    3-tert-butyl-4-hydroxyanisole · CAS 121-00-6 · C11H16O2. UNII 62RAC24292. Boiling Point: 507 to 518 °F at 733 mmHg (NTP, 1992); Boiling Point: 268 °C; Melting Point: 118 to 131 °F (NTP, 1992).

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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