4-프로필카테콜

4-Propyl-1,2-benzenediol

HCID 97638CAS 2525-02-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCc1ccc(O)c(O)c1
InChIKey: SCTPZNJTGOGSQD-UHFFFAOYSA-N
분자식: C9H12O2
평균 분자량: 152.19 g/mol
단동위원소 질량: 152.08372962

이름 및 식별자

우선 이름: 4-Propyl-1,2-benzenediol
IUPAC: 4-propylbenzene-1,2-diol
현지명: 4-프로필카테콜
영어명: 4-propylcatechol
분자식: C9H12O2
분자량: 152.19

이름 및 동의어

4-Propylcatechol2525-02-24-Propyl-1,2-benzenediolGY7REF7DMBNSC-138937DTXSID60179903RefChem:526568DTXCID801023944-propylbenzene-1,2-diolMFCD008709851,2-Benzenediol, 4-propyl-4-propyl catechol

이름 더 보기

4-프로필카테콜4-Propylbenzen-1,2-diol1,2-Benzenediol,4-propyl-

4-n-propylcatecholUNII-GY7REF7DMB2-hydroxy-4-propylphenol4-propyl-2-hydroxyphenol4-propyl-1,2- benzenediolSCHEMBL57143orb3023743SCHEMBL5833388

데이터베이스 식별자

CAS: 2525-02-2
PubChem CID: 97638
DTXSID: DTXSID60179903
UNII: GY7REF7DMB
EC Number: 688-464-6
Nikkaji: J532.721K

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 114

물리화학적 성질

녹는점: 60 °C · 60°C
끓는 점: 234.66 °C · 234.66°C (rough estimate)
밀도: 1.1 · 1.1000
굴절률: 1.444 · 1.4440 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；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]；H411 (66.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]；H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 InformationStatus: Active Update: 18-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23089

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)；Aquatic Chronic 2 (66.7%)；Aquatic Chronic 3 (33.3%)