기본 정보
- 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
이름 더 보기
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
Other Classes -> Organic Acids
Industrial compound
Solubility
greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)
1000 mg/mL at 20 °C
Flash Point
greater than 235 °F (NTP, 1992)
Flash Point > 235 °F
Melting Point
45.9 °F (NTP, 1992)
7.7 °C
Physical Description
Methoxyacetic acid is a colorless liquid. (NTP, 1992)
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
안전 및 규제
GHS 분류
GHS Classification
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
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)
Status: Active Update: 12-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/2127
Substance: Methoxyacetic acid
Methoxyacetic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 4
Repr. 1B
안전 및 보호
First Aid
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.
독성 정보
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
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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
General Manufacturing Information
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
공급사50 곳
추가 설명
정의ChEBI: A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a methoxy group.
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