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Methyl cinnamate

Methyl cinnamate structure

CAS No:
103-26-4
Formula:
C10H10O2
Chemical Name:
Methyl cinnamate
Synonyms:
2-Propenoic acid,3-phenyl-,methyl ester;Cinnamic acid,methyl ester;Methyl cinnamate;Methyl cinnamylate;Methyl 3-phenylpropenoate;Methyl 3-phenyl-2-propenoate;Methyl 3-phenylacrylate;3-Phenyl-2-propenoic acid methyl ester;3-Phenylacrylic acid methyl ester;NSC 9411;SemaSORB 9815;403649-70-7
Categories:
Cosmetic Ingredient > Perfuming

Description

It appears as white to slightly yellow crystal with cherry and fragrant ester fragrant {gas. It has a melting point of 34 ° C, a boiling point of 260 ° C, a refractive index (nD20) of 1.5670 and relative density (d435) of 1.0700. It is soluble in ethanol, ether, glycerol, propylene glycol. It mostly exists in non-volatile oil and mineral oil, insoluble in water. Natural products are contained in basil oil (up to 52%), galangal oil and cinnamon oil.

Methyl cinnamate is the methyl ester of cinnamic acid and is a white or transparent solid with a strong, aromatic odor. It is found naturally in a variety of plants, including in fruits, like strawberry, and some culinary spices, such as Sichuan pepper and some varieties of basil. Eucalyptus olida has the highest known concentrations of methyl cinnamate (98%) with a 2-6% fresh weight yield in the leaf and twigs.

Liquid|Colourless crystalline mass, fruity balsamic odour

Methyl cinnamate is a methyl ester and an alkyl cinnamate.

Methyl cinnamate Basic Attributes

Molecular Weight：

162.19

Exact Mass：

162.19

BRN：

386468

EC Number：

203-093-8

UNII：

533CV2ZCQL

NSC Number：

9411

DSSTox ID：

DTXSID6042151|DTXSID5044314

HScode：

2916399090

Characteristics

PSA：

26.3

XLogP3：

2.6

Appearance：

White to light yellow Fused Crystalline Mass

Density：

1.0672 g/cm³ @ Temp: 15 °C

Melting Point：

36 °C

Boiling Point：

260.4 °C

Flash Point：

>230 °F

Refractive Index：

1.5771

Water Solubility：

insoluble

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.0112mmHg at 25°C

Toxicity：

Moderately toxic by ingestion . The oral LD 50 for rats is 2610 mg / kg . It is combustible as a liquid, and when heated to decomposition it emits acrid smoke and irritating fumes.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

GE0190000

Stability/Shelf Life：

Stable under normal shipping and handling conditions.

Precautionary statement(s)：

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 1732 companies from 6 notifications to the ECHA C&L Inventory.

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Oral	Rodent - rat	2610 mg/kg	Details of toxic effects not reported other than lethal dose value--	Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,849,1975
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Administration onto the skin	Rodent - rabbit	>5 gm/kg	Details of toxic effects not reported other than lethal dose value--	Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,849,1975

Drug Information

MeSH Entry Terms：

methyl cinnamate

Methyl cinnamate Use and Manufacturing

Methods of Manufacturing

It is obtained by heating and esterification of cinnamic acid and methanol under the catalysis of hydrochloric acid and fractional distillation.

Uses

Methyl cinnamate can be used as a fixative, used as a fixative for carnation and oriental fragrance, and used as a daily chemical flavor: used in soaps, detergents and other daily chemical products for the preparation of roses, narcissus, smoke Daily chemical flavors such as linoleum, carnation, and lilac; used as food flavors: in flavors and cakes, it is used to modulate strawberry, grape, cherry, peach, butter, vanilla and other flavors.

Air care products

Production

< 25,000 lb

Manufacturing Info：

2-Propenoic acid, 3-phenyl-, methyl ester: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:162.18
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:162.068079557
Monoisotopic Mass:162.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:167
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

67-56-1

Suppliers(1175)

1020196-42-2

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10307-60-5

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Material

Benzaldehyde

Methanol

Benzene

Dimethyl sulfate

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Guide of Methyl cinnamate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Synthesis Route
Material
Recommended Suppliers
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Methyl cinnamate

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