(+)-8-페닐멘톨

(+)-8-Phenylmenthol

HCID 577105CAS 57707-91-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CCC(C(C)(C)c2ccccc2)C(O)C1
InChIKey: WTQIZFCJMGWUGZ-QEJZJMRPSA-N
분자식: C16H24O
평균 분자량: 232.36 g/mol

이름 및 식별자

우선 이름: (+)-8-Phenylmenthol
IUPAC: 5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
현지명: (+)-8-페닐멘톨
영어명: (+)-8-PHENYLMENTHOL
분자식: C16H24O
분자량: 232.36

이름 및 동의어

(+)-8-Phenylmenthol57707-91-2RefChem:390563634-672-78-phenylmenthol5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-olSCHEMBL927770SCHEMBL4395925AKOS009157095DB-054786DB-0723615-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexanol

이름 더 보기

(+)-8-페닐멘톨5-Methyl-2-(2-phenylpropan-2-yl)cyclohexanolCyclohexanol, 5-methyl-2-(1-methyl-1-phenylethyl)-, (1S,2R,5S)-

5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexanol #Cyclohexanol, 5-methyl-2-(1-methyl-1-phenylethyl)-134256-18-1

데이터베이스 식별자

CAS: 57707-91-2
PubChem CID: 577105
EC Number: 634-672-7
Nikkaji: J1.198.626I

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 240

물리화학적 성질

끓는 점: 82 · 82-83 °C(Press: 0.01 Torr)
밀도: 0.999 g/mL · 0.999 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.531
저장 조건: 2 · 2-8°C
물리적 상태: liquid
산도 계수 (pKa): 15.214 · 15.214±0.60(predicted)
BRN: 5265529 · 5265529
InChI: 1S/C16H24O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14-,15-/m0/s1
InChIKey: WTQIZFCJMGWUGZ-QEJZJMRPSA-N
SMILES: C[C@H]1CC[C@@H]([C@@H](O)C1)C(C)(C)c2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.