3-(1-エトキシエトキシ)-3,7-ジメチル-1,6-オクタジエン

1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-

HCID 162027

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 40910-49-4
標準SMILES: C=CC(C)(CCC=C(C)C)OC(C)OCC
InChIKey: ZJPKYCLAROITRY-UHFFFAOYSA-N
分子式: C14H26O2
平均分子量: 226.35 g/mol
単同位体質量: 226.19328007

名称と識別子

優先名称: 1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-
IUPAC: 3-(1-ethoxyethoxy)-3,7-dimethylocta-1,6-diene
現地名: 3-(1-エトキシエトキシ)-3,7-ジメチル-1,6-オクタジエン
英語名: 1-ETHOXY-1-(3,7-DIMETHYL-1,6-OCTADIEN-3-YLOXY)ETHANE
分子式: C14H26O2
分子量: 226.35

名称と別名

40910-49-4Acetaldehyde ethyl linalyl acetalElintaal1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-Ethyllinalyl acetalLinalool ethyl acetal1-Ethoxy-1-linalyloxethaneEINECS 255-138-6BRN 30824093,7-Dimethyl-3-(1-ethoxyethoxy)-1,6-octadieneDTXSID20866024Acetaldehyde linalyl ethyl acetal 1

名称をさらに表示

3-(1-エトキシエトキシ)-3,7-ジメチルオクタ-1,6-ジエン3-(1-エトキシエトキシ)-3,7-ジメチル-1,6-オクタジエンアセトアルデヒドエチルリナリルアセタ-ルELINTAAL FORTEELINTAAL-N-05896Elintaal 5845123ethyllinalylacetalLinalool ethylacetalacetaldehydeethyllinalylacetalAcetaldehyde linalyl ethyl acetal3,7-dimethyl-3-(1-ethoxyethoxy)-6-octadiene

Acetaldehyde linalyl ethyl acetal 21,6-Octadiene, 3,7-dimethyl-3-(1-ethoxyethoxy)-RefChem:73642DTXCID00814366ZJPKYCLAROITRY-UHFFFAOYSA-N3-(1-Ethoxyethoxy)-3,7-dimethylocta-1,6-diene1-ETHOXY-1-(3,7-DIMETHYL-1,6-OCTADIEN-3-YLOXY)ETHANEethyl linalyl acetal

データベース識別子

CAS: 40910-49-4
PubChem CID: 162027
DTXSID: DTXSID20866024
EC Number: 255-138-6
Nikkaji: J294.788I

物性

構造計算による物性

XLogP: 4
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 8
重原子数: 16
形式電荷: 0
複雑度: 229

実験および物理化学的性質

Kovats Retention Index · 2 件

1362；1361

1564；1558

物理化学的性質

沸点: 307.98 °C · 307.98°C (rough estimate)
比重(密度): 0.9835 · 0.9835 (rough estimate)
蒸気圧: 4.3 · 4.3-7.2Pa at 20-25℃
屈折率: 1.456 · 1.4560 (estimate)
臭い (Odor): 100 %で。甘いフレッシュフローラルトロピカルハーブミュゲナチュラル · 100.00%で。甘いフレッシュフローラルトロピカルハーブミュゲナチュラル
においのタイプ: 花柄
化粧品成分の機能: 香料
LogP: 4.7 · 4.7-4.8 at 35℃ and pH7
EPAの化学物質情報: 1 · 1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl- (40910-49-4)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 3.3% (53 of 1600) of reports.

Warning

H226 (14%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (82.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H412 (82.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P264, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1600 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 53 of 1600 reports by companies.；There are 3 notifications provided by 1547 of 1600 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.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-

Status: Active Update: 21-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17459

1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Data-poor fragrance chemicals: Environment tier II assessment；IMAP assessments - 1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-: Human health tier I assessment

Hazard Classes and CategoriesFlam. Liq. 3 (14%)；Skin Irrit. 2 (82.7%)；Aquatic Chronic 3 (82.7%)

法規制情報

Regulatory Information · 3 件

Chemical: 1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-

Status: Active Update: 21-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17459

1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

tsca: TSCA listed

化学と産業

用途と製造

Use ClassificationFragrance Ingredients

General Manufacturing Information1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-: ACTIVE

サプライヤー22 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

Syntechem Co.,Ltd[email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

化合物ノート

読み込み中…