1-Phenylcyclohexanol

HCID 15319CAS 1589-60-2

기본 정보

표준 SMILES: OC1(c2ccccc2)CCCCC1
InChIKey: DTTDXHDYTWQDCS-UHFFFAOYSA-N
분자식: C12H16O
평균 분자량: 176.25 g/mol
단동위원소 질량: 176.12011513

이름 및 식별자

우선 이름: 1-Phenylcyclohexanol
IUPAC: 1-phenylcyclohexan-1-ol
영어명: 1-Phenylcyclohexanol
분자식: C12H16O
분자량: 176.25

이름 및 동의어

1-Phenylcyclohexanol1589-60-2CYCLOHEXANOL, 1-PHENYL-1-Phenyl-1-cyclohexanol1-Phenylcyclohexanol-1BRN 1818360EINECS 216-456-0NSC 21999Benzene, cyclohex-1-yl-1-ol-AI3-13205DTXSID801665374-06-00-03908 (Beilstein Handbook Reference)

이름 더 보기

1-phenyl-cyclohexano1-phenylcyclohexylol1-PhenyylcyclohexanolCyclohexanol,1-phenyl-

RefChem:76986DTXCID4089028216-456-0DTTDXHDYTWQDCS-UHFFFAOYSA-N1-phenylcyclohexan-1-olMFCD000213938WL3HZ5FB31-phenyl-cyclohexanol

데이터베이스 식별자

CAS: 1589-60-2
PubChem CID: 15319
DTXSID: DTXSID80166537
UNII: 8WL3HZ5FB3
EC Number: 216-456-0
Nikkaji: J80.251D

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: 153

물리화학적 성질

녹는점: 58 · 58-62 °C
끓는 점: 153 °C · 153 °C (20 mmHg)
밀도: 1.035 · 1.0350
굴절률: 1.5415 · 1.5415 (estimate)
인화점: 153 °C/20mm · 153°C/20mm
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 14.49 · 14.49±0.20(Predicted)
색상: 흰색에서 밝은 노란색
BRN: 1818360 · 1818360
InChI: InChI=1S/C12H16O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKey: DTTDXHDYTWQDCS-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)(O)CCCCC1

화학적 성질

slightly yellow adhering crystals

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.