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Vanillyl butyl ether

Vanillyl butyl ether structure

CAS No:
82654-98-6
Formula:
C12H18O3
Chemical Name:
Vanillyl butyl ether
Synonyms:
Phenol,4-(butoxymethyl)-2-methoxy-;4-(Butoxymethyl)-2-methoxyphenol;Vanillyl butyl ether;Hotact VBE;Vanillyl alcohol butyl ether;Sensehot
Categories:
Cosmetic Ingredient > Hair Conditioning

Description

Vanillyl butyl ether is a major contributor to the characteristic flavor and fragrance of vanilla. Vanillyl butyl ether is one of the eco-friendly and nontoxic substances. Vanillyl butyl ether has been proposed as a mild warming agent providing a warming sensation and enhancing the blood circulation[1].

colourless to pale yellow viscous liquid with a weak, vanillic, acidic odour

Vanillyl butyl ether is an ether of monohydroxybenzoic acid. It is added to food products as a flavoring agent. It is also present in cosmetics and personal care products as a fragrance ingredient, oral care agent, hair conditioning agent, and warming or cooling agent.

Vanillyl butyl ether Basic Attributes

Molecular Weight：

210.27000

Exact Mass：

210.27

EC Number：

617-372-0

UNII：

S2ULN37C9R

DSSTox ID：

DTXSID2072881

HScode：

2909500000

Characteristics

PSA：

38.69000

XLogP3：

1.8

Appearance：

colourless to pale yellow viscous liquid with a weak, vanillic, acidic odour

Density：

1.048 g/cm3

Boiling Point：

307.9ºC at 760 mmHg

Flash Point：

140ºC

Refractive Index：

1.516

Water Solubility：

insoluble in water; soluble in organic solvents, oils

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Precautionary statement(s)：

P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501|Aggregated GHS information provided by 58 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315 (44.78%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 137 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Vanillyl butyl ether Use and Manufacturing

Methods of Manufacturing

1 kg of vanillin, 13.1 liters of n-butanol (vanillin concentration of 0.5 mol / L), 0.2 kg of catalyst A and 0. 05 kg of catalyst E were added to the reactor and charged with IMPa hydrogen, Heated to 20 ° C reaction 18h, the detection of vanillin reaction is complete, stop heating, until the reaction tank after cooling the catalyst, the catalyst directly dry and then use. The filtrate was subjected to rotary evaporation to excess excess butanol, To give vanillin butyl ether 1. 33 kg, yield 96percent, purity> 98percent.General procedure: Sulfated tungstate (10 wtpercent) was added to a mixture of p-methoxybenzyl alcohol (1 g, 7.25 mmol) and n-butanol (1.34 g, 18.11 mmol), and the reaction mixture was stirred at 80 °C for 1 h. The progress of the reaction was monitored by thin-layer chromatography (TLC). After completion of the reaction, the reaction mixture was diluted with EtOAc (15 ml) and filtered to recover the catalyst. The organic layer was concentrated under reduced pressure, and the residue obtained was purified by chromatography on silica gel (60–120) with n-hexane–EtOAc (90:10) as eluent to get pure p-methoxybenzyl ether as a colorless oil.

Uses

Vanillyl butyl ether is a compound hypothesized to have warming and vasodilation mechanisms when applied on the skin as a cream.

Manufacturing Info：

Phenol, 4-(butoxymethyl)-2-methoxy-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:210.27
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:210.125594432
Monoisotopic Mass:210.125594432
Topological Polar Surface Area:38.7
Heavy Atom Count:15
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1-Butanol

Downstream Products

1-Butanol

Drug Function and Efficacy

Vanillyl Butyl Ether is a synthetic capsaicin analog commonly used for its warming sensation and potential penetration-enhancing properties in topical formulations. It may improve the absorption of other active ingredients through the skin.

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

Related Drugs

ORYTHIA MAXIMUM STRENGTH LIDOCAINE PAIN RELIEVING- lidocaine_patch
Manufacturer	Planet (Anhui) Pharmaceutical Co., Ltd.

NEKVNRO PFERDEBALSAM- arnica montana(arnica) 7%, hamamelis virginiana (witch hazel) 2.5% pferdebalsam_gel
Manufacturer	Jiangxi Hemei Pharmaceutical Co., Ltd

Recommended Suppliers of Vanillyl butyl ether

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CN
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Henan Beishidi Biological Technology Co. Contact Supplier

CN
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CN
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