글리콜알데하이드

Glycolaldehyde

HCID 756

기본 정보

CAS: 141-46-8
표준 SMILES: O=CCO
InChIKey: WGCNASOHLSPBMP-UHFFFAOYSA-N
분자식: C2H4O2
평균 분자량: 60.05 g/mol
단동위원소 질량: 60.02112937

개요

Glycolaldehyde is the glycolaldehyde derived from ethylene glycol. The parent of the class of glycolaldehydes. It has a role as a human metabolite and a fundamental metabolite. It is a tautomer of a (Z)-1,2-ethenediol.

이름 및 식별자

우선 이름: Glycolaldehyde
IUPAC: 2-hydroxyacetaldehyde
현지명: 글리콜알데하이드
영어명: GLYCOLALDEHYDE
분자식: C2H4O2
분자량: 60.05

이름 및 동의어

glycolaldehyde2-Hydroxyacetaldehydehydroxyacetaldehyde141-46-8DioseGlycolic aldehydeAcetaldehyde, hydroxy-GLYCOALDEHYDEMethylol formaldehydeMonomethylolformaldehyde2-hydroxyethanalMethylolformaldehyde

이름 더 보기

글리콜알데하이드glycollaldehydehydroxyethanalGLYCOLICALDEHYDEAcetaldehyde, hydroxy-(9CI)HOCH2CHO

W0A0XPU08UDTXSID4074693CHEBI:17071GLYCOLLIC ALDEHYDENSC-67935RefChem:143912DTXCID4034570205-484-9

데이터베이스 식별자

CAS: 141-46-8
PubChem CID: 756
DTXSID: DTXSID4074693
ChEMBL: CHEMBL3884509
ChEBI: CHEBI:17071
UNII: W0A0XPU08U
EC Number: 205-484-9
Nikkaji: J2.537B

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 4
형식 전하: 0
복잡도: 18

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Monosaccharides and Derivatives

SpringerMaterials PropertiesCoriolis coupling

Melting Point97 °C

Vapor Pressure4.97 [mmHg]

Physical Description · 2건

Transparent colorless solid; [Merck Index]

Solid

물리화학적 성질

녹는점: 97 °C · 97°C
끓는 점: 35.05 °C · 35.05°C (rough estimate)
밀도: 1.366 · 1.3660
굴절률: 1.4772 · 1.4772
산도 계수 (pKa): 13.34 · 13.34±0.10(Predicted)
Henry's Law Constant: 3.9 · 3.9×102 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
LogP: -1.604 · -1.604 (est)
EPA: Acetaldehyde, hydroxy- (141-46-8)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: Acetaldehyde, hydroxy-

Hazards SummaryCauses other changes of the kidney, ureter, and bladder in oral lethal-dose studies of rats; [RTECS] May cause irritation; [Riedel-de Haen MSDS]

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H317

화학 및 산업

약리 정보

Tissue LocationsNeuron

Cellular LocationsMitochondria

Metabolite PathwaysHypophosphatasia

용도 및 제조

UsesThe simplest possible monosaccharide; Used as a starting material and reagent in organic synthesis; [Merck Index]

응용 분야 · 1건

용도Glycolaldehyde is derived from 2,2-Diethoxyethanol (D441940), which is used in the synthesis of neooxazolomycin, part of the oxazolomycin family of antibiotics. Also used in the synthesis of pyrimidine based inhibitors of phosphodiesterase 7 (PDE7).

상·하류 제품 정보

상류 원료

하류 제품

옥사졸-2-아민 2-아미노이미다졸 2-Pentanone, 1,3,4,5-tetrahydroxy-4-(hydroxymethyl)-2-(2-히드록시에톡시)아세트알데히드 DL-아라비노제 D-(-)-쓰레오 D-Glyceraldehyde 에리스룰로스

공급사19 곳

杭州品高化工有限公司0571-87658025 · [email protected]

上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]

湖北成海化工有限公司027-59220433 18327245847 · [email protected]

Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]

深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]

추가 설명

정의ChEBI: The glycolaldehyde derived from ethylene glycol. The parent of the class of glycolaldehydes.

화합물 노트

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