Levoglucosan

HCID 2724705CAS 498-07-7

기본 정보

표준 SMILES: O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O
InChIKey: TWNIBLMWSKIRAT-VFUOTHLCSA-N
분자식: C6H10O5
평균 분자량: 162.14 g/mol
단동위원소 질량: 162.05282342

이름 및 식별자

우선 이름: Levoglucosan
IUPAC: (1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

이름 및 동의어

Levoglucosan498-07-71,6-Anhydro-beta-D-glucopyranoseLeucoglucosan(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol1,6-Anhydro-beta-glucopyranose5132N17FSDCHEBI:30997beta-D-Glucopyranose, 1,6-anhydro-NSC-46243DTXSID90904321(1R,2S,3S,4R,5R)-6,8-dioxabicyclo(3.2.1)octane-2,3,4-triol

이름 더 보기

RefChem:153210DTXCID301474706207-855-01,6-Anhydro-beta-D-glucoseGlucosan1,6-Anhydroglucose1,6-Anhydro-b-D-glucopyranose1,6-Anhydro-D-glucose

데이터베이스 식별자

CAS: 498-07-7
PubChem CID: 2724705
ChEMBL: CHEMBL3138649
ChEBI: CHEBI:30997
UNII: 5132N17FSD
EC Number: 207-855-0
Nikkaji: J12.571G

물성

구조 계산 물성

XLogP: -2.1
극성 표면적: 79.2 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 161

실험 및 물리화학적 성질

Solubility62.3 mg/mL

Melting Point183 °C

Physical DescriptionSolid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).；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.

유해성 정보

Regulatory Information · 2건

.beta.-D-Glucopyranose, 1,6-anhydro-: Does not have an individual approval but may be used under an appropriate group standard

.beta.-D-Galactopyranose, 1,6-anhydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2건

Acute Tox. 4 (25%)；Skin Irrit. 2 (25%)；Eye Irrit. 2 (25%)；STOT SE 3 (25%)

Acute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (25%)；Eye Irrit. 2A (25%)；Acute Tox. 4 (25%)；STOT SE 3 (25%)

규제 정보