4-페니실록산

4-Phenylcyclohexanol

HCID 79497CAS 5437-46-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OC1CCC(c2ccccc2)CC1
InChIKey: YVVUSIMLVPJXMY-UHFFFAOYSA-N
분자식: C12H16O
평균 분자량: 176.25 g/mol
단동위원소 질량: 176.12011513

이름 및 식별자

우선 이름: 4-Phenylcyclohexanol
IUPAC: 4-phenylcyclohexan-1-ol
현지명: 4-페니실록산
영어명: 4-PHENYLCYCLOHEXANOL
분자식: C12H16O
분자량: 176.25

이름 및 동의어

4-Phenylcyclohexanol5437-46-74-Phenylcyclohexan-1-olDTXSID90969470RefChem:1071408DTXCID90905454226-613-5trans-4-phenylcyclohexanol5769-13-1cis-4-Phenylcyclohexan-1-ol7335-12-8Cyclohexanol, 4-phenyl-

이름 더 보기

4-페니실록산RMA-266NSC 17139NSC 16118TIMTEC-BB SBB0085794-Phenylcyclohexanol,c&t4-Phenylcyclohexanol,98+%4-PHENYLCYCLOHEXANOL ---WHITE CRYSTALS, 99%---

cis-4-phenylcyclohexanoltrans-4-Phenylcyclohexan-1-ol4alpha-Phenylcyclohexan-1alpha-ol(1R,4R)-4-PHENYLCYCLOHEXAN-1-OL(1r,4r)-4-Phenylcyclohexanol(1s,4s)-4-phenylcyclohexan-1-olMFCD00013757MFCD09259965

데이터베이스 식별자

CAS: 5437-46-7、5769-13-1、7335-12-8
PubChem CID: 79497
DTXSID: DTXSID101373146
EC Number: 226-613-5、227-295-0、230-841-0
Nikkaji: J81.032K、J81.090H、J81.372I

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 141

물리화학적 성질

녹는점: 116 · 116-118℃
끓는 점: 295.8 · 295.8±29.0℃ (760 Torr)
밀도: 1.051 · 1.051±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 113.3 · 113.3±16.5℃
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 15.18 · 15.18±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

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]

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 39 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.