(2,5-Dimethylfuran-3-yl)methanol

HCID 10396847CAS 1003-96-9

기본 정보

표준 SMILES: Cc1cc(CO)c(C)o1
InChIKey: YZKVNZQOYBRCPL-UHFFFAOYSA-N
분자식: C7H10O2
평균 분자량: 126.15 g/mol
단동위원소 질량: 126.06807956

이름 및 식별자

우선 이름: (2,5-Dimethylfuran-3-yl)methanol
IUPAC: (2,5-dimethylfuran-3-yl)methanol
영어명: (2,5-Dimethyl-3-furyl)methanol
분자식: C7H10O2
분자량: 126.15

이름 및 동의어

(2,5-dimethylfuran-3-yl)methanol1003-96-9DTXSID00439154RefChem:205595DTXCID30389976861-594-2(2,5-dimethyl-3-furyl)methanol3-Furanmethanol, 2,5-dimethyl-MFCD116462562,5-dimethyl-3-furanmethanolSCHEMBL3100001CHEMBL4540364

이름 더 보기

YZKVNZQOYBRCPL-UHFFFAOYSA-NALBB-0162852,5-dimethyl-3- hydroxymethylfuranAKOS009358521AS-49349CS-0280239EN300-108594H10999

데이터베이스 식별자

CAS: 1003-96-9
PubChem CID: 10396847
DTXSID: DTXSID00439154
ChEMBL: CHEMBL4540364
EC Number: 861-594-2

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 33.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 92

물리화학적 성질

끓는 점: 89 · 89-90 °C(Press: 10 Torr)
밀도: 1.0483 g/cm3 · 1.0483 g/cm3
산도 계수 (pKa): 14.2 · 14.20±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.