기본 정보
- 표준 SMILES
O=C(O)COCC(=O)O- InChIKey
QEVGZEDELICMKH-UHFFFAOYSA-N- 분자식
- C4H6O5
- 평균 분자량
- 134.09 g/mol
- 단동위원소 질량
- 134.02152329
개요
Diglycolic acid is a dicarboxylic acid.
이름 및 식별자
- 우선 이름
- Diglycolic Acid
- IUPAC
- 2-(carboxymethoxy)acetic acid
이름 및 동의어
Diglycolic acid110-99-62,2'-OXYDIACETIC ACIDOxydiacetic acidAcetic acid, 2,2'-oxybis-Oxybisacetic acidOxydiethanolic acid3-Oxapentanedioic acidOxodiacetic acidBis(carboxymethyl) etherAcetic acid, oxydi-Bis(carboxymethyl)ether
이름 더 보기
DTXSID4041575DTXCID2021575S4651635E0NSC-8651RefChem:133644203-823-52-(carboxymethoxy)acetic acidMFCD00004309
데이터베이스 식별자
- CAS
110-99-6- PubChem CID
- 8088
- DTXSID
DTXSID4041575- ChEMBL
CHEMBL1234950- ChEBI
CHEBI:169983- UNII
- S4651635E0
- EC Number
- 203-823-5
- Nikkaji
- J9.721G
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 83.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 104
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Other Organic Compounds
Melting Point148 °C
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionPowder; [Alfa Aesar MSDS]
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 161) of reports.
Warning
H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 161 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Acetic acid, 2,2'-oxybis-
Acetic acid, 2,2'-oxybis-: 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.
Hazards SummaryA skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (99.4%)
안전 및 보호
Protective Action Criteria (PAC)
1.5 [mg/m3]
17 [mg/m3]
99 [mg/m3]
화학 및 산업
용도 및 제조
General Manufacturing InformationAcetic acid, 2,2'-oxybis-: ACTIVE
관련 반응
10건
연결된 노트
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