4-(트랜스-4-프로필시클로헥실)페놀

Phenol, 4-(trans-4-propylcyclohexyl)-

HCID 3126231

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 152126-35-7
표준 SMILES: CCCC1CCC(c2ccc(O)cc2)CC1
InChIKey: AHAZEMSUUYFDMM-UHFFFAOYSA-N
분자식: C15H22O
평균 분자량: 218.33 g/mol
단동위원소 질량: 218.16706532

이름 및 식별자

우선 이름: Phenol, 4-(trans-4-propylcyclohexyl)-
IUPAC: 4-(4-propylcyclohexyl)phenol
현지명: 4-(트랜스-4-프로필시클로헥실)페놀
영어명: 4-(trans-4-Propylcyclohexyl)phenol
분자식: C15H22O
분자량: 218.34

이름 및 동의어

Phenol, 4-(trans-4-propylcyclohexyl)-RefChem:861232690-919-94-(trans-4-Propylcyclohexyl)phenol81936-33-64-(4-propylcyclohexyl)phenol83167-91-34-Propylcyclohexanephenol4-(Trans-4-n-Propylcyclohexyl)PhenolMFCD006737514-[(1S,4R)-4-PROPYLCYCLOHEXYL]PHENOL4-((1s,4r)-4-propylcyclohexyl)phenol

이름 더 보기

4-(트랜스-4-프로필시클로헥실)페놀3PCOPropylcyclohexylphenolPROPYL CYCLOHEXYL-4 PHENOLPropylcyclohexylphenol 3PCOtrans-4-Propyl Cyclohexyl Phenoltrans-4-(4n-Propylcyclohexyl)phenol4-Trans-(4-propylcyclohexyl) Phenol

4-(Trans-4-propylcyclohexyl) phenylacetylenep-(trans-4-propylcyclohexyl)phenolTrans-4-(4-Propylcyclohexyl)phenol2-cyclohexyl-4-propylphenolSCHEMBL1119887SCHEMBL1531852SCHEMBL98156834-(4-n-propylcyclohexyl)-phenol

데이터베이스 식별자

CAS: 152126-35-7、81936-33-6
PubChem CID: 3126231
EC Number: 690-919-9
Nikkaji: J1.629.617A

물성

구조 계산 물성

XLogP: 5.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 186

물리화학적 성질

녹는점: 138 °C · 138°C(lit.)
끓는 점: 339.8 · 339.8±21.0 °C(Predicted)
밀도: 0.978 · 0.978±0.06 g/cm3(Predicted)
증기압: 0.002 Pa · 0.002Pa at 25℃
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 10.21 · 10.21±0.30(Predicted)
색상: 흰색에서 밝은 노란색
수용성: 125 μg/L · 125μg/L at 20℃
InChI: InChI=1S/C15H22O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13,16H,2-7H2,1H3/t12-,13-
InChIKey: AHAZEMSUUYFDMM-JOCQHMNTSA-N
SMILES: C1(O)=CC=C([C@@H]2CC[C@@H](CCC)CC2)C=C1
LogP: 5 at · 5 at 40℃

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；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.