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Thymoquinone

CAS 490-91-5C10H12O2MW 164.20

Thymoquinone (CAS 490-91-5) — formula C10H12O2, molecular weight 164.20.

Product Overview

CAS Number490-91-5
Molecular FormulaC10H12O2
Molecular Weight164.20
Melting Point44 - 45 °C
Boiling Point230.00 to 232.00 °C. @ 760.00 mm Hg
LogP2.20
ApplicationsGeneral Manufacturing Information: 2, 5-Cyclohexadiene-1, 4-dione, 2-methyl-5-(1-methylethyl)-: ACTIVE

Applications

Documented applications: General Manufacturing Information: 2, 5-Cyclohexadiene-1, 4-dione, 2-methyl-5-(1-methylethyl)-: ACTIVE.

Technical Profile

What this product is

Thymoquinone is a chemical compound with CAS registry number 490-91-5 and molecular formula C10H12O2 (molecular weight 164.20).

Identification

CAS number: 490-91-5

Its molecular formula C10H12O2 comprises 10 C, 12 H, 2 O atoms.

Also known as: Thymoquinone · 百里醌

Frequently Asked Questions

What is the CAS number of Thymoquinone?

The CAS registry number of Thymoquinone is 490-91-5.

What is the molecular formula and molecular weight of Thymoquinone?

Molecular formula C10H12O2, molecular weight 164.20.

What other names is Thymoquinone known by?

It is also registered under: Thymoquinone, 百里醌.

What are the documented applications of Thymoquinone?

Recorded applications: General Manufacturing Information: 2, 5-Cyclohexadiene-1, 4-dione, 2-methyl-5-(1-methylethyl)-: ACTIVE.

PubChem Public Data

Independent reference data for Thymoquinone (CAS 490-91-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number490-91-5
PubChem CID10281
Molecular formulaC10H12O2
IUPAC name2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
UNII (FDA)O60IE26NUF

Computed descriptors

Molecular Weight164.20
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area34.1
Heavy Atom Count12

Physicochemical values on record

Boiling Point230.00 to 232.00 °C. @ 760.00 mm Hg
Melting Point44 - 45 °C
LogP2.20
LogP2.2

Documented uses on record

  • 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-: ACTIVE
  • Thymoquinone is a natural compound with widespread protective effects, including anti-oxidative, anti-inflammatory, immunomodulatory, anti-cancer, and anti-microbial. It is able to induce apoptosis, regulate pro- and anti- apopotitic genes, and inhibit cancer metastasis through JNK and p38 activation. Its anti-inflammatory effects are attributed to its inhibition of inflammatory cytokines and processes, including pathways associated with 5-LO, COX, and PGD2.

Synonyms and trade names

Thymoquinone; 490-91-5; Thymoquinon; p-Cymene-2,5-dione; p-Mentha-3,6-diene-2,5-dione; 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHYL-5-(1-METHYLETHYL)-; 2-Isopropyl-5-methylbenzoquinone; 2-Isopropyl-5-methyl-p-benzoquinone; 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione; 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione; 2-Methyl-5-isopropyl-p-benzoquinone; NSC-2228; O60IE26NUF; DTXSID9060079; CHEBI:113532; RefChem:6310

GHS hazard classification

Reported hazard statementsH302 (100%), H315 (97.9%), H319 (97.9%), H335 (95.7%)

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

What the public record says

Thymoquinone · CAS 490-91-5 · C10H12O2. UNII O60IE26NUF. Boiling Point: 230.00 to 232.00 °C. @ 760.00 mm Hg; Melting Point: 44 - 45 °C; LogP: 2.20.

Physical description and handling notes

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

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