4-Hexyloxyphenol

Name: 4-Hexyloxyphenol
Brand: Zhengzhou Whchem

CAS：18979-55-0 | 4-Hexyloxyphenol | Whchem

CAS: 18979-55-0

Other Names

P-HEXYLOXYPHENOL;HYDROQUINONE MONOHEXYL ETHER;HYDROQUINONE MONO-N-HEXYL ETHER;4-N-HEXYLOXYPHENOL;4-HEXYLOXYPHENOL;4-(HEXYLOXY)BENZENOL;4-(hexyloxy)-pheno;Phenol, 4-(hexyloxy)-

Molecular Formula

Purity

>97%

Molecular Weight

194.27 g/mol

EINECS

242-713-1

Structure Available Verified Product

English Name	4-Hexyloxyphenol
English Synonyms	P-HEXYLOXYPHENOL;HYDROQUINONE MONOHEXYL ETHER;HYDROQUINONE MONO-N-HEXYL ETHER;4-N-HEXYLOXYPHENOL;4-HEXYLOXYPHENOL;4-(HEXYLOXY)BENZENOL;4-(hexyloxy)-pheno;Phenol, 4-(hexyloxy)-
CAS Number	18979-55-0
Molecular Formula	C12H18O2
Molecular Weight	194.27 g/mol
EINECS Number	242-713-1
Related Categories	Organic Building Blocks;Oxygen Compounds;Building Blocks for Liquid Crystals;Functional Materials;Phenols (Building Blocks for Liquid Crystals);Organic Building Blocks;Oxygen Compounds;Phenols;Building Blocks;C9 to C20+;Chemical Synthesis
Mol File	Download MOL File
Structure Image

Property	Value
Melting point	45-47 °C (lit.)
Boiling point	112 °C / 3 mmHg
Density	1.0010 (rough estimate)
Refractive index	1.5050 (estimate)
Flash point	>230 °F
Storage condition	Inert atmosphere, Room Temperature
Solubility	Almost transparent in methanol
Acidity Coefficient (pKa)	10.36±0.15 (Predicted)
Form	Powder crystals
Color	White to pale yellow to light orange
BRN	473079
InChI	InChI=1S/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3
InChIKey	XIIIHRLCKLSYNH-UHFFFAOYSA-N
SMILES	CCCCCCOc1ccc(O)cc1
CAS Database Reference	18979-55-0 (CAS DataBase Reference)
EPA Chemical Substance Reference	Phenol, 4-(hexyloxy)- (18979-55-0)

4-Hexyloxyphenol (CAS 18979-55-0) is a high-purity fine chemical intermediate widely used in organic synthesis, pharmaceutical R&D, agrochemical manufacturing and specialty chemical applications.

As a professional supplier, Zhengzhou Whchem provides 4-Hexyloxyphenol with >97% purity, COA, structure confirmation and flexible packaging, available from research quantities to commercial scale with global shipping.

Category	Description (English Translation)
Uses & Synthesis Methods Overview: Hydroquinone monoether compounds, including 4-hexyloxyphenol, are important organic synthesis intermediates. They are mainly used as polymerization inhibitors for monomers such as acrylonitrile, acrylic acid, methacrylic acid, and vinyl acid; as antioxidants for edible oils and cosmetics; as stabilizers for photosensitive materials; and also as intermediates for the synthesis of antioxidants, plasticizers, and pharmaceuticals. Product Uses: 4-Hexyloxyphenol can be used as an organic synthesis intermediate, for example, in the preparation of 4-hexyloxyphenyl 3',5'-dinitrobenzoate. Production Method: Starting Materials: 67399-85-3 (1-(Benzyloxy)-4-(hexyloxy)benzene) 18979-55-0 (4-Hexyloxyphenol) Using 1-(benzyloxy)-4-(hexyloxy)benzene (12.97 g) as the starting material, it was reacted with 5% Pd/C (1.2 g) in 200 mL of a 1:1 methanol/ethyl acetate mixed solvent under a hydrogen atmosphere with stirring for 16 hours. The progress of the reaction was monitored by thin-layer chromatography (TLC) to confirm complete consumption of the starting material. After the reaction was complete, the mixture was filtered through Celite to remove the catalyst. The solvent of the filtrate was then exchanged with 12% ethyl acetate/n-hexane mixed solvent and filtered through a silica gel pad. Finally, the filtrate was concentrated to obtain 8.84 g of 4-(hexyloxy)phenol. TLC Rf = 0.21 (eluent: 10% ethyl acetate/n-hexane). ¹H NMR (CDCl₃): δ 6.80-6.72 (m, 4H), 3.88 (t, 2H, J = 6.7 Hz), 1.79-1.68 (m, 2H), 1.48-1.30 (m, 6H), 0.91-0.86 (m, 3H). References: [1] Patent: WO2014/120995, 2014, A2. Location in patent: Page/Page column 100 [2] Molecular Crystals and Liquid Crystals, 2013, vol. 570, # 1, p. 20 - 35 [3] RSC Advances, 2015, vol. 5, # 127, p. 105066 - 105078

Category

Description (English Translation)

Uses & Synthesis Methods

Overview: Hydroquinone monoether compounds, including 4-hexyloxyphenol, are important organic synthesis intermediates. They are mainly used as polymerization inhibitors for monomers such as acrylonitrile, acrylic acid, methacrylic acid, and vinyl acid; as antioxidants for edible oils and cosmetics; as stabilizers for photosensitive materials; and also as intermediates for the synthesis of antioxidants, plasticizers, and pharmaceuticals.

Product Uses: 4-Hexyloxyphenol can be used as an organic synthesis intermediate, for example, in the preparation of 4-hexyloxyphenyl 3',5'-dinitrobenzoate.

Production Method:

Starting Materials:
67399-85-3 (1-(Benzyloxy)-4-(hexyloxy)benzene)
18979-55-0 (4-Hexyloxyphenol)

Using 1-(benzyloxy)-4-(hexyloxy)benzene (12.97 g) as the starting material, it was reacted with 5% Pd/C (1.2 g) in 200 mL of a 1:1 methanol/ethyl acetate mixed solvent under a hydrogen atmosphere with stirring for 16 hours. The progress of the reaction was monitored by thin-layer chromatography (TLC) to confirm complete consumption of the starting material. After the reaction was complete, the mixture was filtered through Celite to remove the catalyst. The solvent of the filtrate was then exchanged with 12% ethyl acetate/n-hexane mixed solvent and filtered through a silica gel pad. Finally, the filtrate was concentrated to obtain 8.84 g of 4-(hexyloxy)phenol. TLC Rf = 0.21 (eluent: 10% ethyl acetate/n-hexane). ¹H NMR (CDCl₃): δ 6.80-6.72 (m, 4H), 3.88 (t, 2H, J = 6.7 Hz), 1.79-1.68 (m, 2H), 1.48-1.30 (m, 6H), 0.91-0.86 (m, 3H).

References:
[1] Patent: WO2014/120995, 2014, A2. Location in patent: Page/Page column 100
[2] Molecular Crystals and Liquid Crystals, 2013, vol. 570, # 1, p. 20 - 35
[3] RSC Advances, 2015, vol. 5, # 127, p. 105066 - 105078

Category	Value
Hazard Symbol	Xn, N, Xi
Hazard Codes (R Phrases)	22-36/37/38-51/53
Safety Codes (S Phrases)	26-36-61-37/39
UN Number	UN 3077 9 / PG III
WGK Germany	3
TSCA	TSCA listed
Hazard Class	9
HS Code (Customs)	29095000
Storage Category	13 - Non-flammable solids
Hazard Classification	Acute Toxicity Category 4 (Oral), Hazardous to the Aquatic Environment - Long-term Hazard Category 2, Serious Eye Damage Category 1, Dermal Irritation Category 2, Specific Target Organ Toxicity - Single Exposure Category 3

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4-Hexyloxyphenol

CAS：18979-55-0 | 4-Hexyloxyphenol | Whchem

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