(R)-5-히드록시메틸디히드로푸란-2-온

(5R)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone

HCID 6950353CAS 52813-63-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1CC[C@H](CO)O1
InChIKey: NSISJFFVIMQBRN-SCSAIBSYSA-N
분자식: C5H8O3
평균 분자량: 116.11 g/mol
단동위원소 질량: 116.04734412

이름 및 식별자

우선 이름: (5R)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone
IUPAC: (5R)-5-(hydroxymethyl)oxolan-2-one
현지명: (R)-5-히드록시메틸디히드로푸란-2-온
영어명: (R)-5-Hydroxymethyldihydrofuran-2-one
분자식: C5H8O3
분자량: 116.12

이름 및 동의어

52813-63-5(5R)-5-(hydroxymethyl)oxolan-2-oneDTXSID201254377(5R)-Dihydro-5-(hydroxymethyl)-2(3H)-furanoneRefChem:404422DTXCID301685141801-118-2(r)-5-(hydroxymethyl)dihydrofuran-2(3h)-one(R)-(-)-Dihydro-5-(hydroxymethyl)furanone(R)-5-Hydroxymethyldihydrofuran-2-oneMFCD00040528(R)-(-)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone

이름 더 보기

(R)-5-히드록시메틸디히드로푸란-2-온(R)-4-HYDROXYMETHYL BUTYROLACTONE(r)-γ-hydroxymethyl-γ-butyrolactone(R)-5-HYDROXYMETHYL-2-OXOTETRAHYDROFURAN(R)-(-)-G-HYDROXYMETHYL- G-BUTYROLACTONEdihydro-5-(hydroxymethyl)-2(3H)-furanonezR{-Gamma-hydroxymethyl-gamma-butyro-lactone

(r)-5-hydroxymethyl-dihydro-furan-2-one(r)-5-(hydroxymethyl)-dihydrofuran-2(3h)-one2(3H)-Furanone, dihydro-5-(hydroxymethyl)-, (5R)-(r)-gamma-hydroxymethyl-gamma-butyro-lactone(5R)-5-(hydroxymethyl)tetrahydrofuran-2-oneSCHEMBL931042AKOS016842835AC-6629

데이터베이스 식별자

CAS: 52813-63-5
PubChem CID: 6950353
DTXSID: DTXSID201254377
EC Number: 801-118-2
Nikkaji: J881.984J

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 99.8

물리화학적 성질

끓는 점: 101 · 101-102 °C0.048 mm Hg(lit.)
밀도: 1.238 g/mL · 1.238 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.471
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.12 · 14.12±0.10(Predicted)
BRN: 1680285 · 1680285
InChI: 1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m1/s1
InChIKey: NSISJFFVIMQBRN-SCSAIBSYSA-N
SMILES: OC[C@H]1CCC(=O)O1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.