1,4-Anhydroerythritol

HCID 641773

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4358-64-9
표준 SMILES: O[C@@H]1COC[C@@H]1O
InChIKey: SSYDTHANSGMJTP-ZXZARUISSA-N
분자식: C4H8O3
평균 분자량: 104.1 g/mol
단동위원소 질량: 104.04734411

이름 및 식별자

우선 이름: 1,4-Anhydroerythritol
IUPAC: (3R,4S)-oxolane-3,4-diol
영어명: 1,4-Anhydroerythritol
분자식: C4H8O3
분자량: 104.1

이름 및 동의어

1,4-AnhydroerythritolRefChem:3397414358-64-9cis-Tetrahydrofuran-3,4-diol(3R,4S)-tetrahydrofuran-3,4-diolErythritan(3R,4S)-oxolane-3,4-diol1,4-Anhydro-D-erythritolMFCD00075210cis-3,4-DihydroxytetrahydrofuranSCHEMBL196429(3R, 4S)-tetrahydrofuran-3,4-diol

이름 더 보기

L-THREITANCPD0058-SMMeso-3,4-Dihydroxolane-3,4-diolanhydroerythritol4-Anhydroerythritol

AKOS016011113(3~{S},4~{R})-oxolane-3,4-diolAS-33974(3S,4R)-Tetrahydrofuran-3,4-diolCS-0049648IJ8cis-Oxolane-3,4-diolcis-3,4-Dihydroxyoxolane

데이터베이스 식별자

CAS: 4358-64-9
PubChem CID: 641773
DTXSID: DTXSID401318325
EC Number: 224-433-1
Nikkaji: J205.737I

물성

구조 계산 물성

XLogP: -1.4
극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 56

물리화학적 성질

녹는점: 173 · 173-174 °C
끓는 점: 160 · 160-165 °C(Press: 0.17 Torr)
밀도: 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.477(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 13.66 · 13.66±0.40(Predicted)
색상: White or Colorless to Almost white or Almost colorless
InChI: InChI=1/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
InChIKey: SSYDTHANSGMJTP-ZXZARUISNA-N
SMILES: O1C[C@H](O)[C@H](O)C1 |&1:2,4,r|

안전 및 규제

GHS 분류

GHS Classification · 6건

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

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, 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 2 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 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 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

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

안전 데이터

wgk: 3
HS 번호: 2932190090
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도1,4-Anhydroerythritol is a tetrahydrofuran derivative used as a heterocyclic building block in epoxy resins and other polymers. 1,4-Anhydroerythritol is also used in the preparation of nucleotide anal ogs as potential antiviral and anticancer agents.

일반 설명1,4-Anhydroerythritol is a cyclic vicinal diol. 1,4-Anhydroerythritol undergoes hydrodeoxygenation over tungsten oxide-palladium catalysts to yield 3-hydroxytetrahydrofuran.