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메톡시아세트 산

Methoxyacetic Acid

HCID 12251
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
625-45-6
표준 SMILES
COCC(=O)O
InChIKey
RMIODHQZRUFFFF-UHFFFAOYSA-N
분자식
C3H6O3
평균 분자량
90.08 g/mol
단동위원소 질량
90.03169405

개요

Methoxyacetic acid is a colorless liquid. (NTP, 1992)

이름 및 식별자

우선 이름
Methoxyacetic Acid
IUPAC
2-methoxyacetic acid
현지명
메톡시아세트 산
영어명
Methoxyacetic acid
분자식
C3H6O3
분자량
90.08

이름 및 동의어

METHOXYACETIC ACID2-Methoxyacetic acid625-45-6Acetic acid, methoxy-Methoxyethanoic acidAcetic acid, 2-methoxy-DTXSID1031591F11T1H7Q7WNSC-7300DTXCID9011591CHEBI:132098RefChem:157058
이름 더 보기
메톡시아세트산메톡시초산메톡시아세트산(METHOXYACETICACID)메톡시아세틱애씨드2-methoxyaceticacidMethoxyacetic2-methoxyaceticMethoxyessigsuremethoxy-aceticaciMethoxyactic acidMethylglycolicacid
210-894-6Iopromide Impurity 45CH3OCH2COOHmethoxy-acetic acidMFCD00004308(methyloxy)acetic acidalpha-methoxyacetic acidMethoxyacetic acid (ACD/Name 4.0)

데이터베이스 식별자

CAS
625-45-6
PubChem CID
12251
DTXSID
DTXSID1031591
ChEMBL
CHEMBL1697714
ChEBI
CHEBI:132098
UNII
F11T1H7Q7W
EC Number
210-894-6
Nikkaji
J502I

물성

구조 계산 물성

XLogP
-0.3
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
6
형식 전하
0
복잡도
50

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Organic Acids

Industrial compound

SpringerMaterials PropertiesBoiling point
Density1.177 at 68 °F (NTP, 1992) - Denser than water; will sink
Solubility · 2건

greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)

1000 mg/mL at 20 °C

Flash Point · 2건

greater than 235 °F (NTP, 1992)

Flash Point > 235 °F

Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point397 to 399 °F at 760 mmHg (NTP, 1992)
Melting Point · 2건

45.9 °F (NTP, 1992)

7.7 °C

Vapor Pressure1 mmHg at 126.5 °F ; 40 mmHg at 252 °F; 400 mmHg at 363.6 °F (NTP, 1992)
Physical Description · 4건

Methoxyacetic acid is a colorless liquid. (NTP, 1992)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 6건

Chemical: Acetic acid, methoxy-

Hazard Traits - Reproductive Toxicity

Acetic acid, 2-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-methoxy- 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)

REACH registered substance: Methoxyacetic acid (EC: 210-894-6)

Substance: Methoxyacetic acid

Methoxyacetic acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Acetic acid, methoxy-: Human health tier II assessment
DOT LabelCorrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound is corrosive. (NTP, 1992)
Hazards SummaryMay cause burns; [eChemPortal: ESIS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.

용도 및 제조

UsesUsed in organic synthesis; [Hawley]
U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesOther
Household ProductsInformation on 3 consumer products that contain Methoxyacetic acid in the following categories is provided:
General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Acetic acid, 2-methoxy-: ACTIVE

응용 분야

용도Methoxyacetic acid is used in zebrafish embryotoxicity test to evaluate chemical toxicity after exposure of the complete vertebrate embryo during embryogenesis. It is also used in industry as gelling, viscosity and stabilizer reagent.

일반 설명Colorless liquid.

상·하류 제품 정보

하류 제품

Methoxyacetyl chloride메탈락실

관련 반응

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Liquid

Colorless liquid; [CAMEO]

Liquid

물리화학적 성질

녹는점
7 · 7-9 °C (lit.)
끓는 점
202 · 202-204 °C (lit.)
밀도
1.174 g/mL · 1.174 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.417(lit.)
인화점
230 °F · >230 °F
저장 조건
Sealed in dry,Room Temperature
용해도
에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태
액체
산도 계수 (pKa)
1 · pK1:3.57 (25°C)
색상
투명하고 무색에서 아주 약간 노란색을 띤다.
수소이온지수(pH)
1.6 · 1.6 (100g/l, H2O)
냄새
Peculiar fatty vinegear-like odor, in dilution fairly pleasant.
수용성
자유롭게 용해되는
BRN
635800 · 635800
Henry's Law Constant
1.5 · 1.5×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI
1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey
RMIODHQZRUFFFF-UHFFFAOYSA-N
SMILES
COCC(O)=O
LogP
-0.68 · -0.68
NIST
Acetic acid, methoxy-(625-45-6)
EPA
Methoxyacetic acid (625-45-6)

화학적 성질

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

Reactive GroupAcids, Carboxylic
Reactivity ProfileMETHOXYACETIC ACID is incompatible with alkalis and metals. (NTP, 1992)
Air and Water ReactionsHygroscopic. Water soluble.
Hazard Classes and Categories · 4건

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 4

Repr. 1B

안전 및 보호

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

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.

Exposure Control and Personal Protection1.0 [ppm]
Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and protect it from moisture. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
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.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
AI8650000
ridadr
UN 3265 8/PG 2
HS 번호
29189090
risk_code
60-61-22-34
hazard_code
T
safety_code
53-45
포장분류
II
위험 등급
8
기존화학 물질
KE-23198
F 고인화성물질
10-21
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1Repr. 1BSkin Corr. 1BSTOT SE 3
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
중점관리물질 필터링
별표1-90
글리옥실산
메톡시아세트산무수물
2-메톡시프로피온산
(Methoxymethyl)diphenylphosphine oxide
4,4'-DI-TERT-부틸디페닐메탄
2,2,2-트리플루오로에틸메틸에테르
메틸알콜
butyl 2-methoxyacetate
N-(4-브로모페닐)-2-메톡시아세트아미드

추가 설명

정의ChEBI: A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a methoxy group.