基本情報
- CAS
22457-23-4- 標準SMILES
CCC(CC(C)CC)=NO- InChIKey
CBVWMGCJNPPAAR-UHFFFAOYSA-N- 分子式
- C8H17NO
- 平均分子量
- 143.23 g/mol
- 単同位体質量
- 143.13101417
名称と識別子
- 優先名称
- 3-Methyl-5-heptanone oxime
- IUPAC
- N-(5-methylheptan-3-ylidene)hydroxylamine
- 現地名
- 5-メチル-3-ヘプタノンオキシム
- 英語名
- 5-Methyl-3-heptanone oxime
- 分子式
- C8H17NO
- 分子量
- 143.23
名称と別名
5-Methylheptan-3-one oximeStemone5-Methyl-3-heptanone oxime22457-23-43-Heptanone, 5-methyl-, oxime3-Methyl-5-heptanone oximeEthyl 2-methylbutyl ketoximeEthyl 2-methylbutyl ketoxineEINECS 245-010-8XHN6C9A7U3NSC 166310BRN 1923529
名称をさらに表示
5-メチル-3-ヘプタノンオキシムStemon[R]leafy oximeStemone 90235015-Methylheptan-3-onoximMethyl-3-heptanoneoxime5-methyl-3-heptanonoxime3-Methyl-5-heptanoneoximeETHYL METHYLBUTYL KETOXIME
NSC-166310RefChem:503972N-(5-methylheptan-3-ylidene)hydroxylamineUNII-XHN6C9A7U35-methyl-heptan-3-one oximeSCHEMBL113135DTXSID9051874N-(5-Methyl-3-heptanylidene)hydroxylamine
データベース識別子
- CAS
22457-23-4- PubChem CID
- 90787
- DTXSID
DTXSID9051874- UNII
- XHN6C9A7U3
- EC Number
- 245-010-8
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 32.6 Ų
- 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
- 4
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 110
実験および物理化学的性質
FragrancesFragrance Ingredient (5-Methyl-3-heptanone oxime) -> IFRA transparency List
Physical DescriptionLiquid; CBI
物理化学的性質
- 沸点
- 261.35 °C · 261.35°C (rough estimate)
- 比重(密度)
- 0.9636 · 0.9636 (rough estimate)
- 蒸気圧
- 5.32 Pa · 5.32Pa at 20℃
- 屈折率
- 1.4614 · 1.4614 (estimate)
- 酸解離定数(Pka)
- 12.42 · 12.42±0.10(Predicted)
- 臭い (Odor)
- 100 %で。ガルバナムイチジクの葉緑の雑草の皮質 · 100.00%で。ガルバナムイチジクの葉緑の雑草の皮質
- においのタイプ
- 緑
- 水溶解度
- 1.06 g/L · 1.06g/L at 20℃
- 化粧品成分の機能
- 香料香料
- InChI
- InChI=1S/C8H17NO/c1-4-7(3)6-8(5-2)9-10/h7,10H,4-6H2,1-3H3
- InChIKey
- CBVWMGCJNPPAAR-UHFFFAOYSA-N
- SMILES
- CCC(=NO)CC(C)CC
- LogP
- 2.4 at · 2.4 at 30℃
- EPAの化学物質情報
- 3 · 3-Heptanone, 5-methyl-, oxime (22457-23-4)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 18.3% (302 of 1648) of reports.
Warning
H319 (78.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1648 reports by companies from 6 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 3-Heptanone, 5-methyl-, oxime
3-Heptanone, 5-methyl-, oxime is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Heptanone, 5-methyl-, oxime are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 5-methylheptan-3-one oxime (EC: 245-010-8)
3-Heptanone, 5-methyl-, oxime: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (78.3%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 7 consumer products that contain Ethyl Methylbutyl Ketoxime in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
3-Heptanone, 5-methyl-, oxime: ACTIVE
応用分野
使用Stemone is a compound that has a leafy, green, fresh odour, and is commonly used in perfume formulations.
サプライヤー51 社
江西益众化工有限公司15307925109 15350027073 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
山东飞扬化工有限公司18954855616 · [email protected]
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