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

개요

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.

이름 및 식별자

우선 이름: 2-Amino-2-methyl-1,3-propanediol
IUPAC: 2-amino-2-methylpropane-1,3-diol
현지명: 아미노메틸프로판다이올
영어명: 2-Amino-2-methyl-1,3-propanediol
분자식: C4H11NO2
분자량: 105.14

이름 및 동의어

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

이름 더 보기

아미노메틸프로판다이올AMPD bufferAMPD AmmediolAmmediol, AMPDButanediolaMine

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -1.8
극성 표면적: 66.5 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 51.7

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

Cosmetics · 3건

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 · 2건

Large Crystals; Liquid

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

물리화학적 성질

녹는점: 100 · 100-110 °C (lit.)
끓는 점: 151 °C/10 · 151 °C/10 mmHg (lit.)
밀도: 1.0509 · 1.0509 (estimate)
증기 밀도: 3.63 · 3.63 (vs air)
증기압: 10 mm · ~10 mm Hg ( 152 °C)
굴절률: 1.4754 · 1.4754 (estimate)
인화점: 100 °C · >100°C
저장 조건: 30 °C · Store below +30°C.
용해도: 2 O: · H2O: 1 M at 20 °C, 투명, 무색
물리적 상태: 결정성 분말
색상: 하얀색
수소이온지수(pH): 10 · 10.0-12.0 (20℃, 0.5M in H2O)
산도 계수 (pKa): 8.8 · 8.8(at 25℃)
수용성: 2500 g/L · 2500g/L(20℃)
Merck: 13 · 13,447
BRN: 635708 · 635708
안정성: 안정적인. 타기 쉬운. 습기에 민감할 수 있습니다. 강한 산화제, 구리, 알루미늄, 황동, 강산과 호환되지 않습니다.
주요 응용: 진단 검사 제조
화장품 원료 기능: 버퍼링
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℃
NIST: 2 · 2-Amino-2-methyl-1,3-propanediol(115-69-5)
EPA: 1 · 1,3-Propanediol, 2-amino-2-methyl- (115-69-5)

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 4건

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%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Toxicity Summary · 2건

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

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: TY2975000
ridadr: UN 3259 8/PG 2
독성: LD50 orally in Rabbit: 17000 mg/kg
HS 번호: 29221980
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
포장분류: III
위험 등급: 8
기존화학 물질: 2011-3-4983
F 고인화성물질: 3-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Uses · 4건

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

응용 분야 · 1건

용도A 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.