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Product No: AQ4249

Heptanoic acid, 95%

Name: Heptanoic acid
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

111-14-8

Molecular Weight

130.19

Formula

C7H14O2

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IUPAC name	heptanoic acid
canonical smiles	CCCCCCC(=O)O
inchi	InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
inchi key	MNWFXJYAOYHMED-UHFFFAOYSA-N
molecular formula	C7H14O2
synonyms	HEPTANOIC ACID 111-14-8 Enanthic acid n-Heptanoic acid Oenanthic acid
Compound Description	Heptanoic acid appears as a colorless liquid with a pungent odor. Less dense than water and poorly soluble in water. Hence floats on water. Very corrosive. Contact may likely burn skin, eyes, and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Flash point near 200 °F. Heptanoic acid is a C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. It has a role as a plant metabolite. It is a medium-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a heptanoate. Heptanoic acid has been reported in Artemisia macrocephala, Ajania fastigiata, and other organisms with data available. Heptanoic Acid is an aliphatic carboxylic acid, also known as enanthic acid, used in the synthesis of esters for products such as fragrances and artificial flavor preparations. Heptanoic acid, also called enanthic acid, is an organic compound composed of a seven-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but well soluble in ethanol and ether. See also: Heptanoic acid; lactic acid ; Heptanoic acid; iodine .

Computed Properties

Molecular Weight:	130.18 g/mol
XLogP3:	2.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	5
Exact Mass:	130.099379685 g/mol
Monoisotopic Mass:	130.099379685 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	79
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Skin Corr. 1B (100%) Eye Dam. 1 (26.75%) STOT SE 3 (28.32%) Skin corrosion - category 1B Skin corrosion/irritation - Category 1 Serious eye damage/eye irritation - Category 1 Specific target organ toxicity - Single exposure - Category 3 (Narcotic effects) Hazardous to the aquatic environment (Acute) - Category 3 Skin Corr. 1B
precautionary statement codes	P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501
hazard statements	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (26.75%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (28.32%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Category of C7-C9 aliphatic aldehydes and carboxylic acids: Members and supporting chemicals demonstrate low acute toxicity by oral, dermal, and inhalation exposures. toxicity in repeated-dose studies only at relatively high levels. no evidence of reproductive toxicity, developmental toxicity, or mutagenicity. A corrosive substance that can cause injury to the skin, eyes, and respiratory tract. Inhalation may cause pulmonary edema. Emergency treatment: Irritants. Safe when used as a flavoring agent in food. A corrosive substance that can cause injury to the skin and eyes. A highly corrosive substance that can cause severe injury to the skin, eyes, and respiratory tract. Inhalation may cause chemical pneumonitis and pulmonary edema.

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Documentation

Certificate of Analysis

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*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	heptanoic acid
canonical smiles	CCCCCCC(=O)O
inchi	InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
inchi key	MNWFXJYAOYHMED-UHFFFAOYSA-N
molecular formula	C7H14O2
synonyms	HEPTANOIC ACID 111-14-8 Enanthic acid n-Heptanoic acid Oenanthic acid
Compound Description	Heptanoic acid appears as a colorless liquid with a pungent odor. Less dense than water and poorly soluble in water. Hence floats on water. Very corrosive. Contact may likely burn skin, eyes, and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Flash point near 200 °F. Heptanoic acid is a C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. It has a role as a plant metabolite. It is a medium-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a heptanoate. Heptanoic acid has been reported in Artemisia macrocephala, Ajania fastigiata, and other organisms with data available. Heptanoic Acid is an aliphatic carboxylic acid, also known as enanthic acid, used in the synthesis of esters for products such as fragrances and artificial flavor preparations. Heptanoic acid, also called enanthic acid, is an organic compound composed of a seven-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but well soluble in ethanol and ether. See also: Heptanoic acid; lactic acid ; Heptanoic acid; iodine .

Computed Properties

Molecular Weight:	130.18 g/mol
XLogP3:	2.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	5
Exact Mass:	130.099379685 g/mol
Monoisotopic Mass:	130.099379685 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	79
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Skin Corr. 1B (100%) Eye Dam. 1 (26.75%) STOT SE 3 (28.32%) Skin corrosion - category 1B Skin corrosion/irritation - Category 1 Serious eye damage/eye irritation - Category 1 Specific target organ toxicity - Single exposure - Category 3 (Narcotic effects) Hazardous to the aquatic environment (Acute) - Category 3 Skin Corr. 1B
precautionary statement codes	P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501
hazard statements	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (26.75%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (28.32%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Category of C7-C9 aliphatic aldehydes and carboxylic acids: Members and supporting chemicals demonstrate low acute toxicity by oral, dermal, and inhalation exposures. toxicity in repeated-dose studies only at relatively high levels. no evidence of reproductive toxicity, developmental toxicity, or mutagenicity. A corrosive substance that can cause injury to the skin, eyes, and respiratory tract. Inhalation may cause pulmonary edema. Emergency treatment: Irritants. Safe when used as a flavoring agent in food. A corrosive substance that can cause injury to the skin and eyes. A highly corrosive substance that can cause severe injury to the skin, eyes, and respiratory tract. Inhalation may cause chemical pneumonitis and pulmonary edema.

Product No: AQ4249

Heptanoic acid, 95%

Product No: AQ4249

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: AQ4249

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?