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

HCID 42296CAS 57378-68-4

基本情報

標準SMILES
CC=CC(=O)C1C(C)C=CCC1(C)C
InChIKey
XEJGJTYRUWUFFD-UHFFFAOYSA-N
分子式
C13H20O
平均分子量
192.3 g/mol
単同位体質量
192.15141526

名称と識別子

優先名称
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

名称と別名

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

データベース識別子

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

物性

構造計算による物性

XLogP
3.4
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
2
重原子数
14

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

法規制情報

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

化学と産業

用途と製造

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

関連反応

9 件

関連ノート

読み込み中…