D-Pantolactone

HCID 439368CAS 599-04-2

기본 정보

표준 SMILES: CC1(C)COC(=O)[C@@H]1O
InChIKey: SERHXTVXHNVDKA-BYPYZUCNSA-N
분자식: C6H10O3
평균 분자량: 130.14 g/mol
단동위원소 질량: 130.06299418

개요

(R)-pantolactone is a butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 3 and two methyl groups at position 4 (the R-stereoisomer). It has a role as a Saccharomyces cerevisiae metabolite. It is functionally related to a (R)-pantoic acid.

이름 및 식별자

우선 이름: D-Pantolactone
IUPAC: (3R)-3-hydroxy-4,4-dimethyloxolan-2-one

이름 및 동의어

D-(-)-Pantolactone599-04-2PANTOLACTONE(R)-pantolactoneD-Pantolactonepantoyl lactone(R)-Pantoyl lactone(3R)-3-hydroxy-4,4-dimethyloxolan-2-one2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (3R)-(3R)-dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanoneJ288D7O0JS(3R)-4,4-dimethyl-3-oxidanyl-oxolan-2-one

이름 더 보기

CHEBI:16719DTXSID908812492,4-dihydroxy-3,3-dimethylbutyric acid gamma-lactoneRefChem:858494DTXCID801079767209-963-3IID733HD2M(R)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one

데이터베이스 식별자

CAS: 599-04-2
PubChem CID: 439368
DTXSID: DTXSID90881249
ChEMBL: CHEMBL4587869
ChEBI: CHEBI:16719
UNII: J288D7O0JS
EC Number: 209-963-3
Nikkaji: J13.798G

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 139

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.9% (1 of 112) of reports.

Warning

H319 (99.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 112 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

REACH registered substance: α-hydroxy-β,β-dimethyl-γ-butyrolactone (EC: 209-963-3)

2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (3R)-: 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.

Hazard Classes and CategoriesEye Irrit. 2A (99.1%)