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Dimethylbenzylcarbinyl acetate

Dimethylbenzylcarbinyl acetate structure

CAS No:
151-05-3
Formula:
C12H16O2
Chemical Name:
Dimethylbenzylcarbinyl acetate
Synonyms:
Benzeneethanol,α,α-dimethyl-,1-acetate;Phenethyl alcohol,α,α-dimethyl-,acetate;Benzeneethanol,α,α-dimethyl-,acetate;Benzyldimethylcarbinyl acetate;Dimethylbenzylcarbinyl acetate;α,α-Dimethylphenethyl acetate;DMBCA;Dimethylbenzylcarbinol acetate;Benzyldimethylcarbinol acetate;1,1-Dimethyl-2-phenylethyl acetate;2-Methyl-1-phenylpropan-2-yl acetate;NSC 46123;2-Methyl-1-phenyl-2-propyl acetate;Dimethylbenzylcarbonyl acetate;Acetic acid 1,1-Dimethyl-2-phenylethyl ester
Categories:
Cosmetic Ingredient > Perfuming

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Description

Solid

Liquid; OtherSolid|Solid|White to colourless liquid or crystals at room temperature; Powerful floral, fruity aroma

2-Methyl-1-phenyl-2-propanyl acetate is an alkylbenzene.

Dimethylbenzylcarbinyl acetate Basic Attributes

Molecular Weight：

192.25

Exact Mass：

192.25

EC Number：

205-781-3

UNII：

6Y9488RL8H

NSC Number：

46123

DSSTox ID：

DTXSID3041877

HScode：

2915390090

Characteristics

PSA：

26.3

XLogP3：

2.7

Appearance：

Liquid; OtherSolid

Density：

1.0±0.1 g/cm3

Melting Point：

31.0 to 35.0 °C

Boiling Point：

101-105 °C @ Press: 10 Torr

Flash Point：

206 °F

Refractive Index：

1.496

Water Solubility：

Soluble in mineral oil, most fixed oils and propylene glycol; insoluble in water

Vapor Pressure：

0.0139mmHg at 25°C

Toxicity：

Oral-rat LD50: 3300 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/38

safety instructions：

26-36

RTECS Number：

SG8100000

Marks：

Storage features：

Ventilated, low temperature and dry

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

GHS Classification：

|Warning|H315 (11.57%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P321, P332+P313, P362, and P501|Aggregated GHS information provided by 1854 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

1,1-dimethyl-2-phenylethyl acetate

Dimethylbenzylcarbinyl acetate Use and Manufacturing

Methods of Manufacturing

It is formed by direct esterification of dimethylbenzyl alcohol and acetic anhydride.

Uses

It can be used to enhance the head and body fragrances, and is often used in the fragrance formula of hyacinth, magnolia, lilac, and lily of the valley flowers. In addition, it can also be used in fragrance formulations such as rose, gerbera, jasmine, and heart orchid, which can enhance the fragrance and make it fresh and elegant. Adding perfume essence can give floral fragrance. It can also be used in soap essence and edible essence.

Odor agents

Air care products

Production

100,000 - 500,000 lb

Manufacturing Info：

All other chemical product and preparation manufacturing|Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate: ACTIVE

Use Classification：

EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:192.25
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acetic acid

Acetone

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Guide of Dimethylbenzylcarbinyl acetate

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

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