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Beilstein Reference

2372331

18,I,381

Boiling Point

210°C to 219°C

Appearance

Passes Test

CAS Registry Number 1

98-55-5

49623-71-4

125-20-2

ChEBI

CHEBI:22469

Chemical Name or Material

2,4,6-Triisopropylbenzoic acid

alpha-Terpineol

Thymolphthalein

Clarity

passes test

Density

0.930 g/mL

Color

White to Yellow

Colorless to Yellow

EINECS Number

202-680-6

204-729-7

256-400-2

Flash Point

90°C (194°F)

Formula Weight

248.37

154.24

430.53

Grade

ACS Reagent

Health Hazard 1

H227-H315-H319-H335

Health Hazard 2

GHS H Statement
H315-H227
Causes skin irritation.
Combustible liquid.

Health Hazard 3

P210-P235-P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P370+P378q-P501c

InChIKey

WUOACPNHFRMFPN-UHFFFAOYSA-N

ULVHAZFBJJXIDO-UHFFFAOYSA-N

LDKDGDIWEUUXSH-UHFFFAOYSA-N

Melting Point

184°C to 187°C

31°C to 32°C

251.0°C to 253.0°C

Merck Index Reference

14,9171

15,9556

Infrared Spectrum

Authentic

IUPAC Name

2,4,6-tri(propan-2-yl)benzoic acid

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one

Packaging

Glass Bottle

Quantity

10g

100g

500g

Solubility Information

Slightly soluble in water.

Solubility in water: insoluble. Other solubilities: soluble in dilute alkali and acids, soluble in alcohol and acetone

Miscible with water,benzene,propylene glycol,acetone,alcohol and ether.

Molecular Formula

C28H30O4

C16H24O2

C10H18O

Recommended Storage

Ambient temperatures

Molecular Weight

430.53

154.253

248.366

Synonym

1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl

benzoic acid, 2,4,6-tris 1-methylethyl

carvomenthenol

terpineol

Physical Form

Low Melting Mass

Liquid

Percent Purity

97%

96%

RTECS Number

WZ6700000

MFCD Number

MFCD00001557

MFCD00015031

Pub Chem CID

31316

96214

17100

Refractive Index

1.483

SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O)C(C)C

CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

CC1=CCC(CC1)C(C)(C)O

Visual TransitionInterval

from pH 8.8 (colorless) to pH 10.5 (blue)

TSCA

Yes

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