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Product No: AA6648

trans-Cinnamaldehyde, 98%

Name: trans-Cinnamaldehyde
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

14371-10-9

Molecular Weight

132.16

Formula

C9H8O

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About this item

IUPAC name	(E)-3-phenylprop-2-enal
canonical smiles	C1=CC=C(C=C1)C=CC=O
inchi	InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
inchi key	KJPRLNWUNMBNBZ-QPJJXVBHSA-N
molecular formula	C9H8O
synonyms	cinnamaldehyde trans-Cinnamaldehyde 14371-10-9 104-55-2 Cinnamic aldehyde
Compound Description	-cinnamaldehyde is the E stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. It has a role as a hypoglycemic agent, an EC 4.3.1.24 inhibitor, a vasodilator agent, an antifungal agent, a flavouring agent, a plant metabolite and a sensitiser. It is a 3-phenylprop-2-enal and a member of cinnamaldehydes. Cinnamaldehyde is a naturally occurring flavonoid that gives the spice cinnamon its flavour and odour. It occurs naturally in the bark of cinnamon trees and other species of the genus Cinnamomum such as camphor and cassia. Sensitivity to cinnamaldehyde may be identified with a clinical patch test. Cinnamaldehyde is a Standardized Chemical Allergen. The physiologic effect of cinnamaldehyde is by means of Increased Histamine Release, and Cell-mediated Immunity. Cinnamaldehyde is a natural product found in Curcuma xanthorrhiza, Alpinia latilabris, and other organisms with data available. Cinnamaldehyde is the aldehyde that gives cinnamon its flavor and odor. Cinnamaldehyde occurs naturally in the bark of cinnamon trees and other species of the genus Cinnamomum like camphor and cassia. These trees are the natural source of cinnamon, and the essential oil of cinnamon bark is about 90% cinnamaldehyde. Cinnamaldehyde is also used as a fungicide. Proven effective on over 40 different crops, cinnamaldehyde is typically applied to the root systems of plants. Its low toxicity and well-known properties make it ideal for agriculture. To a lesser extent, cinnamaldehyde is an effective insecticide, and its scent is also known to repel animals like cats and dogs. Cinnamaldehyde is also known as a corrosion inhibitor for steel and other ferrous alloys in corrosive fluids. It can be used in combination with additional components such as dispersing agents, solvents and other surfactants. Concentrated cinnamaldehyde is a skin irritant, and the chemical is toxic in large doses, but no agencies suspect the compound is a carcinogen or poses a long-term health hazard. Most cinnamaldehyde is excreted in urine as cinnamic acid, an oxidized form of cinnamaldehyde. Cinnamaldehyde is a metabolite found in or produced by Saccharomyces cerevisiae.

Computed Properties

Molecular Weight:	132.16 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	132.057514874 g/mol
Monoisotopic Mass:	132.057514874 g/mol
Topological Polar Surface Area:	17.1 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	121
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Skin Sens. 1 (100%) Eye Irrit. 2 (100%) STOT SE 3 (88.24%) Acute Tox. 4 (79.01%) Skin Irrit. 2 (98.26%) Skin Sens. 1 (99.86%) Eye Irrit. 2 (95.62%) STOT SE 3 (100%) Not Classified Acute toxicity - category 4 Skin irritation - category 2 Eye irritation - category 2A Skin sensitisation - category 1 Specific target organ toxicity (single exposure) - category 3
precautionary statement codes	P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (88.24%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	May cause hand dermatitis in bakers. Contact urticaria and allergic contact dermatitis reported in workers handling flavoring agents and perfumes. it is included in the fragrance mix. Included in list of established contact allergens in humans. Danger of skin sensitization. A skin, eye, upper respiratory tract irritant. Vapor or mist is irritating to eyes, mucous membranes, and upper respiratory tract. No evidence of carcinogenicity in mice or rats. A skin and strong eye irritant. May cause skin sensitization.

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About this item

Documentation

Certificate of Analysis

Lot Number

Require a Sample Certificate of Analysis (COA) ?

CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	(E)-3-phenylprop-2-enal
canonical smiles	C1=CC=C(C=C1)C=CC=O
inchi	InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
inchi key	KJPRLNWUNMBNBZ-QPJJXVBHSA-N
molecular formula	C9H8O
synonyms	cinnamaldehyde trans-Cinnamaldehyde 14371-10-9 104-55-2 Cinnamic aldehyde
Compound Description	-cinnamaldehyde is the E stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. It has a role as a hypoglycemic agent, an EC 4.3.1.24 inhibitor, a vasodilator agent, an antifungal agent, a flavouring agent, a plant metabolite and a sensitiser. It is a 3-phenylprop-2-enal and a member of cinnamaldehydes. Cinnamaldehyde is a naturally occurring flavonoid that gives the spice cinnamon its flavour and odour. It occurs naturally in the bark of cinnamon trees and other species of the genus Cinnamomum such as camphor and cassia. Sensitivity to cinnamaldehyde may be identified with a clinical patch test. Cinnamaldehyde is a Standardized Chemical Allergen. The physiologic effect of cinnamaldehyde is by means of Increased Histamine Release, and Cell-mediated Immunity. Cinnamaldehyde is a natural product found in Curcuma xanthorrhiza, Alpinia latilabris, and other organisms with data available. Cinnamaldehyde is the aldehyde that gives cinnamon its flavor and odor. Cinnamaldehyde occurs naturally in the bark of cinnamon trees and other species of the genus Cinnamomum like camphor and cassia. These trees are the natural source of cinnamon, and the essential oil of cinnamon bark is about 90% cinnamaldehyde. Cinnamaldehyde is also used as a fungicide. Proven effective on over 40 different crops, cinnamaldehyde is typically applied to the root systems of plants. Its low toxicity and well-known properties make it ideal for agriculture. To a lesser extent, cinnamaldehyde is an effective insecticide, and its scent is also known to repel animals like cats and dogs. Cinnamaldehyde is also known as a corrosion inhibitor for steel and other ferrous alloys in corrosive fluids. It can be used in combination with additional components such as dispersing agents, solvents and other surfactants. Concentrated cinnamaldehyde is a skin irritant, and the chemical is toxic in large doses, but no agencies suspect the compound is a carcinogen or poses a long-term health hazard. Most cinnamaldehyde is excreted in urine as cinnamic acid, an oxidized form of cinnamaldehyde. Cinnamaldehyde is a metabolite found in or produced by Saccharomyces cerevisiae.

Computed Properties

Molecular Weight:	132.16 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	132.057514874 g/mol
Monoisotopic Mass:	132.057514874 g/mol
Topological Polar Surface Area:	17.1 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	121
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Skin Sens. 1 (100%) Eye Irrit. 2 (100%) STOT SE 3 (88.24%) Acute Tox. 4 (79.01%) Skin Irrit. 2 (98.26%) Skin Sens. 1 (99.86%) Eye Irrit. 2 (95.62%) STOT SE 3 (100%) Not Classified Acute toxicity - category 4 Skin irritation - category 2 Eye irritation - category 2A Skin sensitisation - category 1 Specific target organ toxicity (single exposure) - category 3
precautionary statement codes	P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (88.24%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	May cause hand dermatitis in bakers. Contact urticaria and allergic contact dermatitis reported in workers handling flavoring agents and perfumes. it is included in the fragrance mix. Included in list of established contact allergens in humans. Danger of skin sensitization. A skin, eye, upper respiratory tract irritant. Vapor or mist is irritating to eyes, mucous membranes, and upper respiratory tract. No evidence of carcinogenicity in mice or rats. A skin and strong eye irritant. May cause skin sensitization.

Product No: AA6648

trans-Cinnamaldehyde, 98%

Product No: AA6648

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6648

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?