2-Amino-2-methyl-1,3-propanediol (HCID 1531)

概要

2-amino-2-methylpropane-1,3-diol is an aminodiol that is propane-1,3-diol substituted ny an amino and a methyl group at position 2.

名称と識別子

優先名称: 2-Amino-2-methyl-1,3-propanediol
IUPAC: 2-amino-2-methylpropane-1,3-diol
現地名: 2-アミノ-2-メチル-1,3-プロパンジオール
英語名: 2-Amino-2-methyl-1,3-propanediol
分子式: C4H11NO2
分子量: 105.14

名称と別名

2-Amino-2-methyl-1,3-propanediol115-69-52-Amino-2-methylpropane-1,3-diolAMPDAminoglycolGentimonAminomethyl propanediol1,3-Propanediol, 2-amino-2-methyl-Isobutandiol-2-amine1,1-Di(hydroxymethyl)ethylamineAmmediol2-Amino-2-methyl-1,3-propandiol

名称をさらに表示

2-アミノ-2-メチル-1,3-プロパンジオールＡＭＰＤ2-アミノ-2メチルプロパン-1，3-ジオール2‐アミノ‐2‐メチル‐1,3‐プロパンジオールAMPD bufferAMPD AmmediolAmmediol, AMPDButanediolaMine

CZ7BU4QZJZNSC-6364CHEBI:991DTXSID7059430RefChem:557559DTXCID8033356204-100-7Pentaerythritol dichlorohydrin

データベース識別子

CAS: 115-69-5
PubChem CID: 1531
DTXSID: DTXSID7059430
ChEBI: CHEBI:991
UNII: CZ7BU4QZJZ
EC Number: 204-100-7
Nikkaji: J35.183K

物性

構造計算による物性

XLogP: -1.8
極性表面積: 66.5 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 51.7

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

Cosmetics · 3 件

Cosmetic ingredients (Aminomethyl Propanediol) -> CIR (Cosmetic Ingredient Review)

Cosmetic ingredients (Aminomethylpropanediol) -> CIR (Cosmetic Ingredient Review)

Buffering

SpringerMaterials PropertiesFusion temperature

Vapor Pressure0.00654 [mmHg]

Physical Description · 2 件

Large Crystals; Liquid

Solid; [Merck Index] Colorless crystalline solid; [Aldrich MSDS]

物理化学的性質

融点: 100 · 100-110 °C (lit.)
沸点: 151 °C/10 · 151 °C/10 mmHg (lit.)
比重(密度): 1.0509 · 1.0509 (estimate)
蒸気密度: 3.63 · 3.63 (vs air)
蒸気圧: 10 mm · ~10 mm Hg ( 152 °C)
屈折率: 1.4754 · 1.4754 (estimate)
闪点: 100 °C · >100°C
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 2 O: · H2O: 1M at20℃、透明、無色
外見: 結晶性粉末
色: 白い
PH: 10 · 10.0-12.0 (20℃, 0.5M in H2O)
酸解離定数(Pka): 8.8 · 8.8(at 25℃)
水溶解度: 2500 g/L · 2500g/L（20℃）
Merck: 13 · 13,447
BRN: 635708 · 635708
安定性: 安定。可燃性。湿気に敏感な場合があります。強力な酸化剤、銅、アルミニウム、真ちゅう、強酸とは相容れない。
主な用途: 診断アッセイの製造
化粧品成分の機能: バッファリング
InChI: 1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
InChIKey: UXFQFBNBSPQBJW-UHFFFAOYSA-N
SMILES: CC(N)(CO)CO
LogP: -1.31 at · -1.31 at 22℃
CAS データベース: 115 · 115-69-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Amino-2-methyl-1,3-propanediol(115-69-5)
EPAの化学物質情報: 1 · 1,3-Propanediol, 2-amino-2-methyl- (115-69-5)

化学的性質

化学的特性white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (89%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 228 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: 1,3-Propanediol, 2-amino-2-methyl-

1,3-Propanediol, 2-amino-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-amino-2-methyl- 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: 28-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22214

2-Amino-2-methyl-1,3-propanediol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses somnolence, muscle weakness, and coma in oral lethal-dose studies of rabbits; [RTECS] A skin and strong eye irritant; [Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (89%)

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Toxicity Summary · 2 件

Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

安全データ

F: 3-23
wgk: 1
tsca: TSCA listed
rtecs: TY2975000
ridadr: UN 3259 8/PG 2
毒性: LD50 orally in Rabbit: 17000 mg/kg
hs_code: 29221980
risk_code: 36/37/38-20/21/22
化審法: (2)-321
hazard_code: Xi,Xn
safety_code: 26-36-37/39
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Uses · 4 件

CIR ingredient: Aminomethyl Propanediol

CIR ingredient: Aminomethylpropanediol

Used to make surfactants, vulcanization accelerators, and pharmaceuticals; Also used as a biological buffer, absorbent for acidic gases, and emulsifying agent (cosmetics, mineral oil, leather dressings, textile specialties, and cleaning compounds; Also used in hair sprays and wave sets; [Merck Index]

Leather Tanning and Processing [Category: Industry]

U.S. Production2023: 107,056 lb

Consumer UsespH regulating agent

Industry UsesStabilizing agent

Household ProductsInformation on 1 consumer products that contain Aminomethyl propanediol in the following categories is provided:

Use ClassificationCosmetics -> Buffering

応用分野 · 2 件

用途生化学用緩衝剤、有機合成原料、化粧品原料。

使用A useful biological buffer2-Amino-2-methyl-1,3-propanediol is used to make surfactants, vulcanization accelerators and as a biological buffer. It acts as an absorbent for acidic gases and emulsifying agent for cosmetics, mineral oil, leather dressings, textile specialties and cleaning compounds. It is also used in hair sprays. It acts as a buffer for the determination of alkaline phosphatase activity and spacer in isotachophoresis of proteins. It serves as a reaction buffer for enzymes with an activity in the basic pH range such as alkaline phosphatase. Further, it is used in the preparation of 4-hydroxymethyl-4-methyl-oxazolidin-2-one.

調製方法

純化方法Crystallise the diol three times from MeOH, dry in a stream of dry N2 at room temperature, then in a vacuum oven at 55o. Store it over CaCl2 [Hetzer & Bates J Phys Chem 66 308 1962]. [Beilstein 4 IV 1881.]