3,7-ジメチル-6-オクテナールオキシム

6-Octenal, 3,7-dimethyl-, oxime

HCID 89723CAS 22457-25-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)=CCCC(C)CC=NO
InChIKey: JUCCIEVMICHZPK-UHFFFAOYSA-N
分子式: C10H19NO
平均分子量: 169.26 g/mol
単同位体質量: 169.14666423

名称と識別子

優先名称: 6-Octenal, 3,7-dimethyl-, oxime
IUPAC: N-(3,7-dimethyloct-6-enylidene)hydroxylamine
現地名: 3,7-ジメチル-6-オクテナールオキシム
英語名: 3,7-dimethyloct-6-enal oxime
分子式: C10H19NO
分子量: 169.26

名称と別名

6-Octenal, 3,7-dimethyl-, oxime22457-25-66-Octenaldoxime, 3,7-dimethyl-EINECS 245-011-3NSC 152365AI3-12093DTXSID30885206RefChem:105191DTXCID301024600Citronellal oximeCitronellaloximSCHEMBL3273714

名称をさらに表示

3,7-ジメチル-6-オクテナールオキシム3,7-Dimethyl-6-octenal oxime3,7-dimethyloct-6-enal oxime

3,7-dimethyl-oct-6-enal oximeNS00050124N-(3,7-dimethyloct-6-en-1-ylidene)hydroxylamine

データベース識別子

CAS: 22457-25-6
PubChem CID: 89723
DTXSID: DTXSID30885206
EC Number: 245-011-3

物性

構造計算による物性

XLogP: 3.2
極性表面積: 32.6 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 157

物理化学的性質

沸点: 124 · 124-125 °C
比重(密度): 0.8971 g/cm3 · 0.8971 g/cm3(Temp: 27.5 °C)
酸解離定数(Pka): 11.29 · 11.29±0.14(Predicted)
臭い (Odor): 100 %で。シトラスベルガモットライム · 100.00%で。シトラスベルガモットライム
においのタイプ: 柑橘類
LogP: 3.253 · 3.253 (est)
EPAの化学物質情報: 6 · 6-Octenal, 3,7-dimethyl-, oxime (22457-25-6)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 1.9% (2 of 106) of reports.

Warning

H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (98.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 106 reports by companies.；There is 1 notification provided by 104 of 106 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 InformationStatus: Active Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21706

Hazard Classes and CategoriesEye Irrit. 2 (98.1%)；Aquatic Chronic 2 (98.1%)

法規制情報

Regulatory InformationStatus: Active Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21706

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing Information6-Octenal, 3,7-dimethyl-, oxime: ACTIVE

上流・下流製品情報

上流原料

Citronella

サプライヤー2 社

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