2-벤질록시벤질알코올

Benzenemethanol, 2-(phenylmethoxy)-

HCID 18811CAS 3381-87-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCc1ccccc1OCc1ccccc1
InChIKey: XRZMRABYCSOXIZ-UHFFFAOYSA-N
분자식: C14H14O2
평균 분자량: 214.26 g/mol
단동위원소 질량: 214.09937969

이름 및 식별자

우선 이름: Benzenemethanol, 2-(phenylmethoxy)-
IUPAC: (2-phenylmethoxyphenyl)methanol
현지명: 2-벤질록시벤질알코올
영어명: 2-Benzyloxybenzyl alcohol
분자식: C14H14O2
분자량: 214.26

이름 및 동의어

2-Benzyloxybenzyl alcohol3381-87-1(2-(Benzyloxy)phenyl)methanol[2-(Benzyloxy)phenyl]methanolBenzyl ether of saligenin2-(Phenylmethoxy)benzenemethanolBenzenemethanol, 2-(phenylmethoxy)-BENZYL ALCOHOL, o-(BENZYLOXY)-BRN 2212681DTXSID50187471RefChem:563480DTXCID60109962

이름 더 보기

2-벤질록시벤질알코올o-Benzyloxybenzyl alcohol2-Benzylocybenzyl Alcohol2-(Benzyloxy)benzenemethanol2-Benzyloxybenzyl Alcohol >2-(Benzyloxy)benzyl alcohol 97%[2-(phenylmethoxy)phenyl]methanol2-(benzenemethoxy)benzenemethylol

Benzenemethanol, 2-(phenylmethoxy)-(9CI)630-896-4(2-phenylmethoxyphenyl)methanolMFCD016644282-(benzyloxy)benzyl alcoholSCHEMBL692555Benzenemethanol, 2-(phenylmethoxy)- (9CI)AS-44397

데이터베이스 식별자

CAS: 3381-87-1
PubChem CID: 18811
DTXSID: DTXSID50187471
UNII: 97BD6L3N4P
EC Number: 630-896-4
Nikkaji: J122.291K

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 187

물리화학적 성질

녹는점: 36.5 · 36.5-37.5 °C
끓는 점: 155 °C · 155 °C / 4mmHg
밀도: 1.139 · 1.139±0.06 g/cm3(Predicted)
인화점: 37 °C · 37 °C
저장 조건: Store at room temperature
산도 계수 (pKa): 14.4 · 14.40±0.10(Predicted)
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Yellow
InChI: InChI=1S/C14H14O2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKey: XRZMRABYCSOXIZ-UHFFFAOYSA-N
SMILES: C1(CO)=CC=CC=C1OCC1=CC=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

rtecs: DN8582000
독성: frog,LDLo,unreported,360mg/kg (360mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)BEHAVIORAL: ATAXIABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Journal of Pharmacology and Experimental Therapeutics. Vol. 24, Pg. 423, 1925.
HS 번호: 2916399090