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PURPLE

CAS 97-59-6C4H6N4O3MW 158.12

PURPLE (CAS 97-59-6) — formula C4H6N4O3, molecular weight 158.12; category organic chemicals.

Specifications

CAS Number97-59-6
Molecular FormulaC4H6N4O3
Molecular Weight158.12
Melting Point239 °C /Racemic form/
LogP-2.2
ApplicationsUses: CIR ingredient: Allantoin, Occurs naturally in tobacco seeds, sugar beets, and wheat sprouts, [Hawley] Used as a medicine for wound healing, in biochemical research, and in the preparation of estrogenic compounds, Also used as a dermatological preparation to treat dandruff, seborrheic dermatitis, psoriasis, hair loss, corns, and calluses, It is an ingredient in sunscreens, [HSDB], For allantoin (USEPA, OPP Pesticide Code: 085701) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Subpart B: Section 310.545: Drug products containing certain active ingredients offered over-thecounter (OTC) for certain uses. Ingredients-Approved as of May 7, 1991: Allantoin (wound healing claims only)., Subpart B: Section 347.10 Skin protectant active ingredients. The active ingredients of the product consist of any of the following, within the concentration specified for each ingredient: (a) Allantoin, 0.5 to 2 percent., Allantoin is listed on the FDA OTC Ingredient List as used for or having reviews pending for use as a wound healing agent, skin protectant and external analgesic, a dandruff, psoriasis product, a grower for hair loss, a corn, callus remover, and a sunscreen ingredient., For more Uses (Complete) data for ALLANTOIN (7 total), please visit the HSDB record page., Use (kg, approx.) in Germany (2009): >100, Consumption (g per capita, approx.) in Germany (2009): 0.00122, Calculated removal (%): 75.1, Use Classification: Cosmetics -> Soothing, Consumer Uses: Other, Household Products: Information on 167 consumer products that contain Allantoin in the following categories is provided:, • Personal Care, • Pet Care, Methods of Manufacturing: Produced by oxidation of uric acid. Also present in tobacco seeds, wheat sprouts., Various heterocyclic compounds can be obtained by coupling polynucleophiles with glyoxylic acid: ... with urea and an acid catalyst, allantoin is obtained in 60% yield., Formulations, Preparations: Mederma, a topical skin gel produced by Merz Pharmaceuticals, LLC, 4215 Tudor Lane Greensboro, NC 27410, contains water (purified), PEG-4, allium cepa (onion) bulb extraxt, xanthan gum, allantoin, fragrance, methylparaben and sorbic acid., U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: 50, 000 - <250, 2020: <50, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7149], General Manufacturing Information: Urea, N-(2, 5-dioxo-4-imidazolidinyl)-: ACTIVE, One of several compounds identified in comfrey (Symphytum officinale), The main effect of allantoin is the powerful stimulation of cell proliferation and the enhancement of the rebuilding of intact granulation tissue. In pharmaceutical applications, allantoin is used ... in the treatment of ulcers, slow-healing wounds and burns., Pesticide: Cancelled, The Food and Drug Administration (FDA) final monograph establishing conditions under which over-the-counter (OTC) skin protectant drug products are generally recognized as safe and effective and not misbranded includes allantoin as an active ingredient for symptoms of, skin, dryness and as a Category III skin protectant for wound-healing based on the lack of effectiveness data (43 FR 34628 at 34644 through 34647)., Allantoin ..., has, been present in oral mucosal injury drug products for use as oral wound healing agents. Oral wound healing agents have been marketed as aids in the healing of minor oral wounds by means other than cleansing and irrigating, or by serving as a protectant. Allantoin, is, safe for use as oral wound healing agents, but there are inadequate data to establish general recognition of the effectiveness of these ingredients as oral wound healing agents. ...Clinical investigations designed to obtain evidence that any drug product labeled, represented, or promoted for OTC use as an oral wound healing agent is safe and effective for the purpose intended must comply with the requirements and procedures governing the use of investigational new drugs set forth in part 312 of this chapter. (d) After the effective date of the final regulation, any OTC drug product that is labeled, or promoted for use as an oral wound healing agent may not be initially introduced or initially delivered for introduction into interstate commerce unless it is the subject of an approved new drug application.
CategoryOrganic Chemicals

Where it is used

Documented applications: Uses: CIR ingredient: Allantoin, Occurs naturally in tobacco seeds, sugar beets, and wheat sprouts, [Hawley] Used as a medicine for wound healing, in biochemical research, and in the preparation of estrogenic compounds, Also used as a dermatological preparation to treat dandruff, seborrheic dermatitis, psoriasis, hair loss, corns, and calluses, It is an ingredient in sunscreens, [HSDB], For allantoin (USEPA, OPP Pesticide Code: 085701) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Subpart B: Section 310.545: Drug products containing certain active ingredients offered over-thecounter (OTC) for certain uses. Ingredients-Approved as of May 7, 1991: Allantoin (wound healing claims only)., Subpart B: Section 347.10 Skin protectant active ingredients. The active ingredients of the product consist of any of the following, within the concentration specified for each ingredient: (a) Allantoin, 0.5 to 2 percent., Allantoin is listed on the FDA OTC Ingredient List as used for or having reviews pending for use as a wound healing agent, skin protectant and external analgesic, a dandruff, psoriasis product, a grower for hair loss, a corn, callus remover, and a sunscreen ingredient., For more Uses (Complete) data for ALLANTOIN (7 total), please visit the HSDB record page., Use (kg, approx.) in Germany (2009): >100, Consumption (g per capita, approx.) in Germany (2009): 0.00122, Calculated removal (%): 75.1, Use Classification: Cosmetics -> Soothing, Consumer Uses: Other, Household Products: Information on 167 consumer products that contain Allantoin in the following categories is provided:, • Personal Care, • Pet Care, Methods of Manufacturing: Produced by oxidation of uric acid. Also present in tobacco seeds, wheat sprouts., Various heterocyclic compounds can be obtained by coupling polynucleophiles with glyoxylic acid: ... with urea and an acid catalyst, allantoin is obtained in 60% yield., Formulations, Preparations: Mederma, a topical skin gel produced by Merz Pharmaceuticals, LLC, 4215 Tudor Lane Greensboro, NC 27410, contains water (purified), PEG-4, allium cepa (onion) bulb extraxt, xanthan gum, allantoin, fragrance, methylparaben and sorbic acid., U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: 50, 000 - <250, 2020: <50, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7149], General Manufacturing Information: Urea, N-(2, 5-dioxo-4-imidazolidinyl)-: ACTIVE, One of several compounds identified in comfrey (Symphytum officinale), The main effect of allantoin is the powerful stimulation of cell proliferation and the enhancement of the rebuilding of intact granulation tissue. In pharmaceutical applications, allantoin is used ... in the treatment of ulcers, slow-healing wounds and burns., Pesticide: Cancelled, The Food and Drug Administration (FDA) final monograph establishing conditions under which over-the-counter (OTC) skin protectant drug products are generally recognized as safe and effective and not misbranded includes allantoin as an active ingredient for symptoms of, skin, dryness and as a Category III skin protectant for wound-healing based on the lack of effectiveness data (43 FR 34628 at 34644 through 34647)., Allantoin ..., has, been present in oral mucosal injury drug products for use as oral wound healing agents. Oral wound healing agents have been marketed as aids in the healing of minor oral wounds by means other than cleansing and irrigating, or by serving as a protectant. Allantoin, is, safe for use as oral wound healing agents, but there are inadequate data to establish general recognition of the effectiveness of these ingredients as oral wound healing agents. ...Clinical investigations designed to obtain evidence that any drug product labeled, represented, or promoted for OTC use as an oral wound healing agent is safe and effective for the purpose intended must comply with the requirements and procedures governing the use of investigational new drugs set forth in part 312 of this chapter. (d) After the effective date of the final regulation, any OTC drug product that is labeled, or promoted for use as an oral wound healing agent may not be initially introduced or initially delivered for introduction into interstate commerce unless it is the subject of an approved new drug application..

Purchase Profile

What this product is

PURPLE is a carbon-based organic compound with CAS registry number 97-59-6 and molecular formula C4H6N4O3 (molecular weight 158.12), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 97-59-6

Its molecular formula C4H6N4O3 comprises 4 C, 6 H, 4 N, 3 O atoms.

Also known as: PURPLE

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of PURPLE?

The CAS registry number of PURPLE is 97-59-6.

What is the molecular formula and molecular weight of PURPLE?

Molecular formula C4H6N4O3, molecular weight 158.12.

What other names is PURPLE known by?

It is also registered under: PURPLE.

What are the documented applications of PURPLE?

Recorded applications: Uses: CIR ingredient: Allantoin, Occurs naturally in tobacco seeds, sugar beets, and wheat sprouts, [Hawley] Used as a medicine for wound healing, in biochemical research, and in the preparation of estrogenic compounds, Also used as a dermatological preparation to treat dandruff, seborrheic dermatitis, psoriasis, hair loss, corns, and calluses, It is an ingredient in sunscreens, [HSDB], For allantoin (USEPA, OPP Pesticide Code: 085701) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Subpart B: Section 310.545: Drug products containing certain active ingredients offered over-thecounter (OTC) for certain uses. Ingredients-Approved as of May 7, 1991: Allantoin (wound healing claims only)., Subpart B: Section 347.10 Skin protectant active ingredients. The active ingredients of the product consist of any of the following, within the concentration specified for each ingredient: (a) Allantoin, 0.5 to 2 percent., Allantoin is listed on the FDA OTC Ingredient List as used for or having reviews pending for use as a wound healing agent, skin protectant and external analgesic, a dandruff, psoriasis product, a grower for hair loss, a corn, callus remover, and a sunscreen ingredient., For more Uses (Complete) data for ALLANTOIN (7 total), please visit the HSDB record page., Use (kg, approx.) in Germany (2009): >100, Consumption (g per capita, approx.) in Germany (2009): 0.00122, Calculated removal (%): 75.1, Use Classification: Cosmetics -> Soothing, Consumer Uses: Other, Household Products: Information on 167 consumer products that contain Allantoin in the following categories is provided:, • Personal Care, • Pet Care, Methods of Manufacturing: Produced by oxidation of uric acid. Also present in tobacco seeds, wheat sprouts., Various heterocyclic compounds can be obtained by coupling polynucleophiles with glyoxylic acid: ... with urea and an acid catalyst, allantoin is obtained in 60% yield., Formulations, Preparations: Mederma, a topical skin gel produced by Merz Pharmaceuticals, LLC, 4215 Tudor Lane Greensboro, NC 27410, contains water (purified), PEG-4, allium cepa (onion) bulb extraxt, xanthan gum, allantoin, fragrance, methylparaben and sorbic acid., U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: 50, 000 - <250, 2020: <50, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7149], General Manufacturing Information: Urea, N-(2, 5-dioxo-4-imidazolidinyl)-: ACTIVE, One of several compounds identified in comfrey (Symphytum officinale), The main effect of allantoin is the powerful stimulation of cell proliferation and the enhancement of the rebuilding of intact granulation tissue. In pharmaceutical applications, allantoin is used ... in the treatment of ulcers, slow-healing wounds and burns., Pesticide: Cancelled, The Food and Drug Administration (FDA) final monograph establishing conditions under which over-the-counter (OTC) skin protectant drug products are generally recognized as safe and effective and not misbranded includes allantoin as an active ingredient for symptoms of, skin, dryness and as a Category III skin protectant for wound-healing based on the lack of effectiveness data (43 FR 34628 at 34644 through 34647)., Allantoin ..., has, been present in oral mucosal injury drug products for use as oral wound healing agents. Oral wound healing agents have been marketed as aids in the healing of minor oral wounds by means other than cleansing and irrigating, or by serving as a protectant. Allantoin, is, safe for use as oral wound healing agents, but there are inadequate data to establish general recognition of the effectiveness of these ingredients as oral wound healing agents. ...Clinical investigations designed to obtain evidence that any drug product labeled, represented, or promoted for OTC use as an oral wound healing agent is safe and effective for the purpose intended must comply with the requirements and procedures governing the use of investigational new drugs set forth in part 312 of this chapter. (d) After the effective date of the final regulation, any OTC drug product that is labeled, or promoted for use as an oral wound healing agent may not be initially introduced or initially delivered for introduction into interstate commerce unless it is the subject of an approved new drug application..

Which category does PURPLE belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for PURPLE (CAS 97-59-6), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS 通报统计86.9% (319 / 367)
已通报的危害声明H302 (13.1%)

Regulatory listings

法规与食品接触CIR / INCI: Cosmetic ingredients (Allantoin) -> CIR (Cosmetic Ingredient Review)
GHS 通报统计86.9% (319 / 367)

Reported physical properties

熔点239 °C /Racemic form/
熔点MP: 230 °C (decomposes)
熔点239 °C
溶解度In water, 5.26X10+3 mg/L at 25 °C
溶解度5.26 mg/mL
pHpH = 4.5 - 6 (5% in water, 20 °C)
Collision Cross Section126.7 Ų [M-H]-
Collision Cross Section143.3 Ų [M+Na]+

How this substance is indexed

CAS 号97-59-6
PubChem CID204
分子式C4H6N4O3
分子量158.04 g/mol
IUPAC 名称(2,5-dioxoimidazolidin-4-yl)urea
InChIKeyPOJWUDADGALRAB-UHFFFAOYSA-N
UNII(FDA)344S277G0Z
ChEBI 编号CHEBI:15676

Names this substance appears under

allantoin; 97-59-6; 5-Ureidohydantoin; Glyoxyldiureide; Cordianine; Glyoxyldiureid; Allantol; Sebical; Alantan; AVC/Dienestrolcream; Psoralon; Septalan; Urea, (2,5-dioxo-4-imidazolidinyl)-; (2,5-Dioxo-4-imidazolidinyl)urea; (2,5-dioxoimidazolidin-4-yl)urea; Cutemol emollient

Computed molecular descriptors

分子量158.12
XLogP3-2.2
氢键供体数4
氢键受体数3
可旋转键数1
精确质量158.04399007
单同位素质量158.04399007
拓扑极性表面积113
重原子数11
形式电荷0

Database abstract

尿囊素 的 CAS 号为 97-59-6,分子式 C4H6N4O3,分子量 158.04 g/mol。 UNII 344S277G0Z; ChEBI 15676; InChIKey POJWUDADGALRAB-UHFFFAOYSA-N. 熔点: 239 °C /Racemic form/; 熔点: MP: 230 °C (decomposes); 熔点: 239 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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