1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

HCID 6436846CAS 5208-93-5

기본 정보

표준 SMILES: C=CC(C)(O)/C=C/C1=C(C)CCCC1(C)C
InChIKey: PZGYHDPZANRCSM-PKNBQFBNSA-N
분자식: C15H24O
평균 분자량: 220.35 g/mol
단동위원소 질량: 220.18271539

이름 및 식별자

우선 이름: 1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
IUPAC: (1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
영어명: (E)-(±)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
분자식: C15H24O
분자량: 220.35

이름 및 동의어

Vinyl-beta-ionol5208-93-53-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-olEINECS 226-006-51,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-EC 226-006-5DTXSID70884137RefChem:417000DTXCID701023604226-006-559057-30-6MFCD09751288

이름 더 보기

vinyl-β-ionolEthylene-β-ionolEthylene-β-ionol, CAS 59057-30-63-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien...(E)-3-methyl-1-(2,6,6-trimethylcyclohex-1-enyl)penta-1,4-dien-3-ol(E)-(±)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol(E)-(1)-3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol(E)-(±)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol

(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol(1E)-3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol(E)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-olETHYLENE-BETA-IONOL(E)-(+/-)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-olEthylene-|A-ionolvinyl beta-ionolEINECS 261-585-8

데이터베이스 식별자

CAS: 5208-93-5、59057-30-6
PubChem CID: 6436846
DTXSID: DTXSID601154701
UNII: 7TK8YYR94S
EC Number: 226-006-5、261-585-8
Nikkaji: J1.633.923G、J297.942J

물성

구조 계산 물성

XLogP: 3.5
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: 333

물리화학적 성질

끓는 점: 315.3 · 315.3±11.0 °C(Predicted)
밀도: 0.948 · 0.948±0.06 g/cm3(Predicted)
용해도: 디클로로메탄, 에테르, 에틸아세테이트, 메탄올에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 13 · 13+-.0.29(Predicted)
색상: 연노랑
InChI: InChI=1S/C15H24O/c1-6-15(5,16)11-9-13-12(2)8-7-10-14(13,3)4/h6,9,11,16H,1,7-8,10H2,2-5H3/b11-9+
InChIKey: PZGYHDPZANRCSM-PKNBQFBNSA-N
SMILES: C(/C1C(C)(C)CCCC=1C)=C\C(C)(O)C=C

화학적 성질

Light Yellow Oil

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 112 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: 03-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17238

Hazard Classes and CategoriesSkin Sens. 1A (100%)；Aquatic Chronic 2 (100%)

규제 정보

Regulatory InformationStatus: Active Update: 03-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17238

화학 및 산업

용도 및 제조

General Manufacturing Information1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-: ACTIVE

공급사13 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

济南昕维医药科技有限公司18354101831 13305414159

上海艾梯西生物科技有限公司18721763493

凯试（上海）科技有限公司021-50135380 · [email protected]

西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]

연결된 노트

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