1-(2,6,6-Trimethylcyclohex-3-en-1-yl)but-2-en-1-one

HCID 42296CAS 57378-68-4

기본 정보

표준 SMILES
CC=CC(=O)C1C(C)C=CCC1(C)C
InChIKey
XEJGJTYRUWUFFD-UHFFFAOYSA-N
분자식
C13H20O
평균 분자량
192.3 g/mol
단동위원소 질량
192.15141526

이름 및 식별자

우선 이름
1-(2,6,6-Trimethylcyclohex-3-en-1-yl)but-2-en-1-one
IUPAC
1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one

이름 및 동의어

71048-82-31-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-oned-damasconeUNII-7F4RIE5P7ESCHEMBL237110HCA37868DB-300387NS00075869G782061-(2,6,6-trimethylcyclohex-3-enyl)but-2-en-1-one1-(2,6,6-trimethyl-cyclohex-3-enyl)-but-2-en-1-one

데이터베이스 식별자

CAS
57378-68-4、71048-82-3
PubChem CID
42296
DTXSID
DTXSID2052235
EC Number
275-156-8

물성

구조 계산 물성

XLogP
3.4
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
14

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (65.7%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (65.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H400 (45.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (99.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 178 reports by companies from 12 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: 01-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16254
Hazard Classes and CategoriesAcute Tox. 4 (65.7%);Skin Irrit. 2 (65.7%);Skin Sens. 1A (100%);Aquatic Acute 1 (45.5%);Aquatic Chronic 1 (99.4%)

규제 정보

Regulatory InformationStatus: Active Update: 01-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16254

화학 및 산업

용도 및 제조

Household ProductsInformation on 33 consumer products that contain Trans-Rose Ketone-3 in the following categories is provided:;• Auto Products;• Inside the Home
Use ClassificationFragrance Ingredients

관련 반응

9건

연결된 노트

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