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Benzyl isoeugenol

Benzyl isoeugenol structure

CAS No:
120-11-6
Formula:
C17H18O2
Chemical Name:
Benzyl isoeugenol
Synonyms:
Benzene,2-methoxy-1-(phenylmethoxy)-4-(1-propen-1-yl)-;Benzene,1-(benzyloxy)-2-methoxy-4-propenyl-;Benzene,2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-;2-Methoxy-1-(phenylmethoxy)-4-(1-propen-1-yl)benzene;Benzyl isoeugenol;Benzyl isoeugenol ether;Benzyl 2-methoxy-4-propenylphenyl ether;Isoeugenol,benzyl ether;NSC 46157;Isoeugenyl benzyl ether
Categories:
Cosmetic Ingredient > Perfuming

Description

Isoeugenyl benzyl ether has a faint, floral odor of rose–carnationIsoeugenyl benzyl ether has a faint, floral odor of rose-carnation. May be synthesized by benzylation of isoeugenol; also by alkaline isomerization of benzyleugenol.

Solid|White to ivory-coloured crystalline powder; faint, floral aroma of rose-carnation

Benzyl isoeugenol Basic Attributes

Molecular Weight：

254.32

Exact Mass：

254.32

EC Number：

204-370-6

UNII：

78Q46SZU33

NSC Number：

46157

DSSTox ID：

DTXSID0051605

HScode：

2909309090

Characteristics

PSA：

18.5

XLogP3：

4.30730

Appearance：

White to ivory-coloured crystalline powder; faint, floral aroma of rose-carnation

Density：

1.0621 (rough estimate)

Melting Point：

46-52 °C

Boiling Point：

198-204 °C @ Press: 5 Torr

Flash Point：

152.1±23.3 °C

Refractive Index：

1.5000 (estimate)

Water Solubility：

Insoluble in water, soluble in oils

Vapor Pressure：

6.76E-06mmHg at 25°C

Toxicity：

Oral-rat LD50: 4900 mg/kg

Flammability characteristics：

Combustible; burning decomposition stimulates smoke

Safety Information

Packing level：

Ⅲ

Transport codes：

3077

wgk germany：

hazard class code：

safety instructions：

S62;S36/S37

RTECS Number：

CY8225000

Marks：

F;Xn

Storage features：

Ventilated, low temperature and dry

GHS Classification：

Not Classified

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

benzyl 2-methoxy-4-propenylphenyl ether

Benzyl isoeugenol Use and Manufacturing

Methods of Manufacturing

It is obtained by refluxing isoeugenol and benzyl chloride.

Uses

GB 2760-1996 stipulates the allowable food flavors. According to CE regulations, the maximum dosage is 10mg/kg. Mainly used for spicy and banana flavors.

Manufacturing Info：

Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propen-1-yl)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:254.32
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:254.130679813
Monoisotopic Mass:254.130679813
Topological Polar Surface Area:18.5
Heavy Atom Count:19
Complexity:268
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzyl chloride

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Guide of Benzyl isoeugenol

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Benzyl isoeugenol

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