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ヨウ化グリセロール

2-(1-Iodoethyl)-1,3-dioxolane-4-methanol

HCID 21852
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
5634-39-9
標準SMILES
CC(I)C1OCC(CO)O1
InChIKey
LTINPJMVDKPJJI-UHFFFAOYSA-N
分子式
C6H11IO3
平均分子量
258.05 g/mol
単同位体質量
257.97529

概要

Iodinated glycerol appears as viscous pale yellow or yellow liquid. (NTP, 1992)

名称と識別子

優先名称
2-(1-Iodoethyl)-1,3-dioxolane-4-methanol
IUPAC
[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol
現地名
ヨウ化グリセロール
英語名
2-(1-iodoethyl)-1,3-dioxolan-4-ylmethanol
分子式
C6H11IO3
分子量
258.05

名称と別名

Iodinated glycerolOrganidin5634-39-9Iodopropylidene glycerolGlycerol, Iodinated2-(1-IODOETHYL)-1,3-DIOXOLANE-4-METHANOL1,3-Dioxolane-4-methanol, 2-(1-iodoethyl)-NCI-C5546934ON63CCO3RefChem:9090518C0LU36AR9DTXSID4020741
名称をさらに表示
オルガニジン2,3-(2-ヨードプロピリデンビスオキシ)-1-プロパノール2-(1-ヨードエチル)-1,3-ジオキソラン-4-メタノールヨウ化グリセロール[2-(1-ヨードエチル)-1,3-ジオキソラン-4-イル]メタノールIodopropylidene2-(1-iodoethyl)-1,3-dioxolan-4-ylmethanol
DTXCID401285162227-079-6[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol(2-(1-Iodoethyl)-1,3-dioxolan-4-yl)methanolIodinated Glycerol BCCRIS 2378HSDB 4185Glycerol, iodinated [USAN:BAN]

データベース識別子

CAS
5634-39-9
PubChem CID
21852
DTXSID
DTXSID1023152
ChEMBL
CHEMBL2105827
ChEBI
CHEBI:135062

物性

構造計算による物性

XLogP
0.8
極性表面積
38.7 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
2
重原子数
10
形式電荷
0
複雑度
109

実験および物理化学的性質

TastePUNGENT, BITTER AFTERTASTE
Density · 2 件

1.797 (NTP, 1992) - Denser than water; will sink

1.797

Color/FormPALE YELLOW LIQ
Solubility · 2 件

greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)

SOL IN ETHER, CHLOROFORM, ISOBUTYL ALC, METHYL ACETATE, ETHYL ACETATE, METHYL FORMATE, TETRAHYDROFURAN

Flash Pointgreater than 200 °F (NTP, 1992)
Vapor Pressure4.25 mmHg at 77 °F (NTP, 1992)
Refractive IndexINDEX OF REFRACTION: 1.547/D
Physical DescriptionIodinated glycerol appears as viscous pale yellow or yellow liquid. (NTP, 1992)

物理化学的性質

融点
25 °C · <25 °C
沸点
294.9 · 294.9±15.0 °C(Predicted)
比重(密度)
1.797 · 1.797

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

危険有害性情報

Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health Hazards · 1 件

SYMPTOMS: Symptoms of exposure to this compound include hypersensitivity, rash, flare-up of adolescent acne, dermatitis, gastrointestinal irritation, thyroid gland enlargement and acute parotitis. Compounds of this type have caused mental depression, insomnia, sexual impotence, hyperthyroidism, goiter, hypersensitivity characterized by severe coryza, headache, lacrimation, weakness, laryngitis, bronchitis, allergic reactions, irritation of the mucous membranes and death due to circulatory failure, edema of the glottis resulting in asphyxia, aspiration pneumonia or pulmonary edema. Skin reactions (iododerma) may vary from mild erythema and acneform eruptions to urticaria. Suppurative or hemorrhagic rashes may also result. Other symptoms may include myxedema, nervousness, iodism, pain and swelling in the salivary glands, conjunctivitis, fever, exacerbation of acne, esophageal stricture, anuria, disagreeable metallic taste, vomiting, abdominal pain and diarrhea. If the stomach contains starch the vomitus is colored blue. Exposure may also lead to thirst, shock, nausea, delirium, stupor, temporary enlargement of lymph glands respiratory distress, stomatitis, rhinorrhea, anorexia, weight loss, sleeplessness, laryngeal edema, serum sickness with lymph node enlargement, joint pain and swelling, collapse, coma and death from uremia.

Reactive GroupAlcohols and Polyols
Special ReportsDHHS/NTP; Toxicology & Carcinogenesis Studies of Iodinated Glycerol in F344/N Rats and B6C3F1 Mice (Gavage Studies) Technical Report Series No. 340 (1990) NIH Publication No. 90-2596
Reactivity Profile · 1 件

A halogenated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

化学と産業

用途と製造

UsesMEDICATION
U.S. Imports(1979) No Data
U.S. Production · 2 件

(1977) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1979) PROBABLY GREATER THAN 4.54X10+5 GRAMS

Methods of Manufacturing · 2 件

REACTION OF IODINE AND GLYCEROL

MANCHEY ET AL, US PATENT 2,872,378 (1959 TO DENVER CHEM MFR).

Formulations/PreparationsORGANIDIN... ORAL: ELIXIR 1.2%; SOLN 5%; TABLETS 30 MG.
General Manufacturing InformationISOMERIC MIXT OF 67-75% OF 2-(1-IODOETHYL)-1,3-DIOXOLANE-4-METHANOL OR 2,3-(2-IODOPROPYLIDENEDIOXY)PROPANOL & 33-25% OF 2-(2-IODOETHYL)-1,3-DIOXOLANE-4-METHANOL OR 2,3-(3-IODOPROPYLIDENEDIOXY)PROPANOL.

応用分野

使用Expectorant.

一般的な説明Viscous pale yellow or yellow liquid.

サプライヤー1 社

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

関連反応

0 件
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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
UNII
34ON63CCO3
EC Number
227-079-6
Nikkaji
J8.040C
屈折率
1.547 · nD 1.547
酸解離定数(Pka)
14.2 · 14.20±0.10(Predicted)
EPAの化学物質情報
2 · 2-(1-Iodoethyl)-1,3-Dioxolane-4-methanol (5634-39-9)
Air and Water Reactions
Water soluble.

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

毒性情報

Ongoing Test Status · 1 件

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=5634-39-9]

Carcinogen Classification · 6 件

Iodinated Glycerol

TR-340: Toxicology and Carcinogenesis Studies of Iodinated Glycerol (Organidin®) (CASRN 5634-39-9) in F344/N Rats and B6C3F1 Mice (Gavage Studies) (1990 )

10/04/88

Some Evidence

No Evidence

No Evidence

Non-Human Toxicity Excerpts · 1 件

... Conclusions: Under the conditions of these 2 yr gavage studies, there was some evidence of carcinogenic activity for male F344/N rats admin iodinated glycerol, as indicated by increased incidences of mononuclear cell leukemia and follicular cell carcinomas of the thyroid gland. Adenomas of the nasal cavity in two high dose male rats may have been related to the administration of iodinated glycerol. There was no evidence of carcinogenic activity for female F344/N rats administered 62 or 125 mg/kg iodinated glycerol by gavage for 103 wk. There was no evidence of carcinogenic activity for male B6C3F1 mice administered 125 or 250 mg/kg iodinated glycerol by gavage for 103 wk. There was some evidence of carcinogenic activity for female B6C3F1 mice admin iodinated glycerol, as indicated by incr incidences of adenomas of the anterior pituitary gland and neoplasms of the harderian gland. Squamous cell papillomas of the forestomach may have been related to the admin of iodinated glycerol.

National Toxicology Program Studies · 1 件

Toxicology and carcinogenesis studies of iodinated glycerol (Orgarlidin, a complex mixture prepared by the reaction of iodine with glycerol and found to contain 33% 3-iodo-1,2-propanediol as the major component) were conducted because of human exposure to iodinated glycerol as an expectorant and its possible relationship to the formation of alkyl iodides, e.g., methyl iodide, a suspected animal carcinogen. These studies were conducted by giving iodinated glycerol in water by gavage (5 days per week) to groups of F344/N rats and B6C3F1 mice for ... 2 years. ... Two yr studies were conducted by administering 0, 125, or 250 mg/kg iodinated glycerol in deionized water by gavage, 5 days/wk for 103 wk, to groups of 50 male F344/N rats and 50 male B6C3F1 mice. Groups of 50 female F344/N rats and 50 female B6C3F1 mice were admin iodinated glycerol on the same schedule at lower doses of 0, 62 or 125 mg/kg because of the incr severity of kidney and stomach lesions in the 13 wk studies. Conclusions: Under the conditions of these 2 yr gavage studies, there was some evidence of carcinogenic activity for male F344/N rats admin iodinated glycerol, as indicated by increased incidences of mononuclear cell leukemia and follicular cell carcinomas of the thyroid gland. Adenomas of the nasal cavity in two high dose male rats may have been related to the administration of iodinated glycerol. There was no evidence of carcinogenic activity for female F344/N rats administered 62 or 125 mg/kg iodinated glycerol by gavage for 103 wk. There was no evidence of carcinogenic activity for male B6C3F1 mice administered 125 or 250 mg/kg iodinated glycerol by gavage for 103 wk. There was some evidence of carcinogenic activity for female B6C3F1 mice admin iodinated glycerol, as indicated by incr incidences of adenomas of the anterior pituitary gland and neoplasms of the harderian gland. Squamous cell papillomas of the forestomach may have been related to the admin of iodinated glycerol.

安全データ

有毒物質データの
5634-39-9(Hazardous Substances Data)