コリン

Choline, hydroxide

HCID 31255CAS 123-41-1

基本情報

標準SMILES
C[N+](C)(C)CCO.[OH-]
InChIKey
KIZQNNOULOCVDM-UHFFFAOYSA-M
分子式
C5H15NO2
平均分子量
121.18 g/mol
単同位体質量
121.11027872

名称と識別子

優先名称
Choline, hydroxide
IUPAC
2-hydroxyethyl(trimethyl)azanium hydroxide
現地名
コリン
英語名
Choline hydroxide
分子式
C5H15NO2
分子量
121.18

名称と別名

CHOLINE HYDROXIDE123-41-1GossypineLuridine2-Hydroxy-N,N,N-trimethylethanaminium hydroxideSinkalinSinkaline(2-Hydroxyethyl)trimethylammonium hydroxideDTXSID9047467CHOLINE, HYDROXIDETrimethyl(2-hydroxyethyl)ammonium hydroxideEthanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide
名称をさらに表示
コリン (48-50%水溶液)トリメチル(2-ヒドロキシエチル)アンモニウム·ヒドロキシドコリン·ヒドロキシドコリンヒドロキシドトリメチル(2-ヒドロキシエチル)アミニウム·ヒドロキシド2-ヒドロキシ-N,N,N-トリメチルエタンアミニウム·ヒドロキシド2-ヒドロキシエチルトリメチルアミニウム·ヒドロキシドN,N,N-トリメチル-2-ヒドロキシエタンアミニウム·ヒドロキシド水酸化コリンコリン溶液(48~50%)2-ヒドロキシエチルトリメチルアンモニウムヒドロキシド (48-50%水溶液)コリン (47-50%水溶液)2-ヒドロキシ-N,N,N-トリメチルエタンアミニウムヒドロキシド (48-50% IN WATER)50%コリン溶液コリンヒドロキシド, 50%水溶液2-ヒドロキシ-N,N,N-トリメチルエタンアミニウムヒドロキシド (48-50% in Water)コリンコリン,45%水溶液CHOLINECholine hydroxide solutionvidineCHOLINE BASECholine hydroxide, 45 wt.% aqueous solution, stabilized, pureSKL1388SKL1600
(beta-Hydroxyethyl)trimethylammonium hydroxideDTXCID7027467Hydroxide, CholineRefChem:125755204-625-1SincalineBursineFagine

データベース識別子

CAS
123-41-1
PubChem CID
31255
DTXSID
DTXSID9047467
ChEMBL
CHEMBL3187547
UNII
7THJ3EG9SY
EC Number
204-625-1

物性

構造計算による物性

極性表面積
21.2 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
2
重原子数
8

実験および物理化学的性質

Physical Description · 2 件

Liquid

45% aqueous solution: Brown viscous liquid; [Acros Organics MSDS]

物理化学的性質

融点
236 · 236~239℃
比重(密度)
1.09 g/mL · 1.09 g/mL at 20 °C
蒸気圧
28.284 hPa · 28.284hPa at 25℃
屈折率
20 · n20/D 1.4304
闪点
92 °F · 92 °F
貯蔵温度
2 · Inert atmosphere,2-8°C

化学的性質

化学的特性clear light yellow viscous solution

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (99.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (69%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (20.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (20.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 352 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 4 件

Chemical: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide

Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5289

Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryCauses convulsions and dyspnea in intravenous lethal-dose studies of mice (LD50 = 21.4 mg/kg); [RTECS] 45% aqueous solution: Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (99.7%);Eye Dam. 1 (69%);STOT SE 3 (20.5%);STOT RE 2 (20.2%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

法規制情報

Regulatory Information · 4 件

Chemical: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide

Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5289

Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

F
8-9-23
wgk
1
tsca
TSCA listed
rtecs
GA4025500
ridadr
UN 3286 3/PG 2
hs_code
29231000

毒性と防護

毒性400mg/kg純分(ラット腹腔)

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Endogenous factors or drugs that increase the transport and metabolism of LIPIDS including the synthesis of LIPOPROTEINS by the LIVER and their uptake by extrahepatic tissues.

Drugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms.

用途と製造

U.S. Production2023: 10,000,000 - <50,000,000 lb;2022: 10,000,000 - <50,000,000 lb;2021: 25,000,000 - <40,000,000 lb;2020: 25,000,000 - <40,000,000 lb
Consumer UsesSolids separation (precipitating) agent, not otherwise specified;Intermediate
Industry UsesPlating agent;pH regulating agent;Solids separation (precipitating) agent, not otherwise specified;Intermediate
General Manufacturing Information · 2 件

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing;Computer and Electronic Product Manufacturing;All Other Chemical Product and Preparation Manufacturing;All Other Basic Organic Chemical Manufacturing;Other (requires additional information)

Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1): ACTIVE

応用分野

使用Choline hydroxide is used as a precursor molecule for the neurotransmitter acetylcholine, it is involved in several functions including muscle and memory muscle control. It was used as a basic catalyst for aldol condensation reactions.

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補足説明 · 1 件

定義An amino alcohol,CH2OHCH2N(CH3)3OH. It occurswidely in living organisms as aconstituent of certain types ofphospholipids– the lecithins andsphingomyelins– and in the neurotransmitteracetylcholine. It issometimes classified as a memberof the vitamin B complex.

関連反応

44 件

関連ノート

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