Phenolate, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, sodium salt (1:1)

Basic Information

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CAS Number

62625-21-2

Molecular Formula

C27H28NaO5S

Molecular Weight

488.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

283-285 °C (dec.)

Density

0.979 g/mL at 25 °C

Water Solubility

Soluble in waterSoluble in 0.1N hydrochloric acid/ethanol.

Solubility

95% ethanol: 10 mg/mL, clear, dark green

SMILES

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CC1=CC(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4C)[O-])C(C)C)C(C)C)O.[Na+]

InChI

InChI=1S/C27H30O5S.Na/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6;/h7-16,28-29H,1-6H3;/q;+1/p-2

InChIKey

BAVBEHWEOJMHDS-UHFFFAOYSA-L

LogP

7.49120

Complexity

795

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Stable.

Synonyms & References

English

Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, S,S-dioxide, monosodium salt
Thymol Blue, water soluble
EINECS 263-650-6
DTXSID90897401
MFCD00151093
Thymol Blue sodium salt
SY103650
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, monosodium salt
Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)phenolate) S,S-dioxide
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, sodium salt (1:1)
62625-21-2
Thymolsulfonphthalein sodium salt
Sodium 4-(3-(4-hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-benzo[c][1,2]oxathiol-3-yl)-2-isopropyl-5-methylphenolate
Sodium 4-[3-(4-Hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-benzo[c][1,2]oxathiol-3-yl]-2-isopropyl-5-methylphenolate
Thymol Blue (sodium)
D92222
SCHEMBL221559
thymol blue solu-tion
J-610009
AKOS027250855
CS-0010131
Thymol Blue sodium salt, ACS reagent, Dye content 95 %
A868420
sodium;4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate
FT-0697050
NS00093664
ThymolBluesodiumsalt
Thymol Blue (Sodium Salt)
HY-D0219A
Thymol Blue sodium salt, >=98%
sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)phenolate] S,S-dioxide

MDL Number

MFCD00151093

FAQ

What is Phenolate, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, sodium salt (1:1) (CAS: 62625-21-2)?

Phenolate, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, sodium salt (1:1) is a complex organic compound with a molecular structure derived from a benzoxathiol derivative. It is used in various applications including pharmaceuticals, chemical synthesis, and research.

What are the main uses of Phenolate, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, sodium salt (1:1) (CAS: 62625-21-2)?

This compound is used primarily in pharmaceutical research, as a precursor for organic synthesis, and in certain chemical applications. It may also find uses in the food industry as a flavoring agent.

Is Phenolate, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, sodium salt (1:1) (CAS: 62625-21-2) safe?

The safety of this compound depends on the context of use. It should be handled with caution as it is a reactive compound. Protective measures include wearing appropriate personal protective equipment and ensuring proper ventilation. Ingestion or contact with the skin should be avoided.

How should Phenolate, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, sodium salt (1:1) (CAS: 62625-21-2) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Ideal storage conditions include a temperature range of 15-25°C and a relative humidity of less than 60%.