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Neryl acetate

Neryl acetate structure

CAS No:
141-12-8
Formula:
C12H20O2
Chemical Name:
Neryl acetate
Synonyms:
2,6-Octadien-1-ol,3,7-dimethyl-,1-acetate,(2Z)-;2,6-Octadien-1-ol,3,7-dimethyl-,acetate,(Z)-;Nerol acetate;2,6-Octadien-1-ol,3,7-dimethyl-,acetate,(2Z)-;2,6-Octadien-1-ol,3,7-dimethyl-,formate,cis-;Neryl acetate;cis-Geranyl acetate;cis-1-Acetoxy-3,7-dimethyl-2,6-octadiene;Z-3,7-Dimethyl-2,6-octadien-1-ol acetate;Acetic acid neryl ester;130396-85-9
Categories:
Cosmetic Ingredient > Perfuming

Description

Neryl acetate is a chemical compound isolated from citrus oils[1].

Liquid|colourless to pale yellow liquid/sweet, floral odour

Neryl acetate is an acetate ester resulting from the formal condensation of the hydroxy group of nerol with the carboxy group of acetic acid. It has a role as a volatile oil component, a fragrance and a plant metabolite. It is an acetate ester, a monoterpenoid and an olefinic compound. It derives from a nerol.

Neryl acetate Basic Attributes

Molecular Weight：

196.29

Exact Mass：

196.29

BRN：

1722814

EC Number：

205-459-2

UNII：

OF82IJU18H

NSC Number：

72031

DSSTox ID：

DTXSID2047068

HScode：

2915390090

Characteristics

PSA：

26.3

XLogP3：

3.5

Appearance：

Liquid

Density：

0.903 g/cm³ @ Temp: 15 °C

Melting Point：

<25 °C

Boiling Point：

235 °C

Flash Point：

210 °F

Refractive Index：

1.46

Water Solubility：

In water, 6.8 mg/L at 25 deg C (est)

Storage Conditions：

2-8°C

Vapor Pressure：

3.3X10-2 mm Hg at 25 deg C (est)

Safety Information

Packing level：

Ⅲ

Transport codes：

3082

wgk germany：

hazard class code：

36/37/38

safety instructions：

23-24/25-37/39-36-26

RTECS Number：

RG5921000

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (16.67%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 140 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315 (95.33%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, and P501|Aggregated GHS information provided by 1775 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

geraniol acetate

Neryl acetate Use and Manufacturing

Methods of Manufacturing

It is formed by esterification of nerol and acetic acid.

Uses

GB 2760-1996 stipulates the allowable food flavors. It is mainly used to prepare fruit flavors such as raw pears, apples, lemons, peaches, raspberries, and citruses.

Fragrance Ingredients

Air care products

Manufacturing Info：

All other chemical product and preparation manufacturing|2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2Z)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:196.29
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:196.146329876
Monoisotopic Mass:196.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:233
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Neryl acetate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Neryl acetate

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