(+/-)-3-하이드록시-감마-부티로락톤

3,4-Dihydroxybutanoic acid gamma-lactone

HCID 95652

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5469-16-9
표준 SMILES: O=C1CC(O)CO1
InChIKey: FUDDLSHBRSNCBV-UHFFFAOYSA-N
분자식: C4H6O3
평균 분자량: 102.09 g/mol
단동위원소 질량: 102.03169405

이름 및 식별자

우선 이름: 3,4-Dihydroxybutanoic acid gamma-lactone
IUPAC: 4-hydroxyoxolan-2-one
현지명: (+/-)-3-하이드록시-감마-부티로락톤
영어명: (+/-)-3-hydroxy-gamma-butyrolactone
분자식: C4H6O3
분자량: 102.09

이름 및 동의어

5469-16-93,4-Dihydroxybutyric acid gamma-lactone3,4-Dihydroxybutanoic acid gamma-lactone0M94O5FN60RefChem:5025364-HYDROXYDIHYDROFURAN-2(3H)-ONE4-hydroxyoxolan-2-one2(3H)-Furanone, dihydro-4-hydroxy-4-HYDROXYDIHYDROFURAN-2-ONE3-hydroxybutyrolactone(+/-)-beta-Hydroxy-gamma-butyrolactone4-hydroxytetrahydrofuran-2-one

이름 더 보기

(+/-)-3-하이드록시-감마-부티로락톤3-HYDROXY--BUTYROLACTONE(n)-3-hydroxy-UNII:0M94O5FN603-hydroxy-r-butylactonebeta-Hydroxybutyrolactone3-Hydroxy-γ-butyrolactone

4-Hydroxydihydro-2(3H)-furanoneDIHYDRO-4-HYDROXY-2(3H)-FURANONE(+/-)-3-HYDROXY-GAMMA-BUTYROLACTONEMFCD000900144-hydroxy-dihydrofuran-2(3H)-oneNSC-26907UNII-0M94O5FN60NSC26907

데이터베이스 식별자

CAS: 5469-16-9
PubChem CID: 95652
DTXSID: DTXSID00872986
UNII: 0M94O5FN60
EC Number: 621-521-5
Nikkaji: J363.498A

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 88

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1185.1；1153

2457；2457

물리화학적 성질

녹는점: 68 ℃ · 68℃
끓는 점: 98 · 98-100°C 0,3mm
밀도: 1 · 1,241 g/cm3
굴절률: 1.464 · 1.4640
인화점: 110 °C · >110°C
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 12.87 · 12.87±0.20(Predicted)
수용성: 물에 완전히 섞임.
BRN: 107670 · 107670

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.