2,6,8-トリメチル-4-ノナノン

2,6,8-Trimethyl-4-nonanone

HCID 61057
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基本情報

CAS
123-18-2
標準SMILES
CC(C)CC(=O)CC(C)CC(C)C
InChIKey
GFWVDQCGGDBTBS-UHFFFAOYSA-N
分子式
C12H24O
平均分子量
184.32 g/mol
単同位体質量
184.18271539

名称と識別子

優先名称
2,6,8-Trimethyl-4-nonanone
IUPAC
2,6,8-trimethylnonan-4-one
現地名
2,6,8-トリメチル-4-ノナノン
英語名
2,6,8-Trimethyl-4-nonanone
分子式
C12H24O
分子量
184.32

名称と別名

2,6,8-Trimethyl-4-nonanone123-18-24-NONANONE, 2,6,8-TRIMETHYL-DTXSID7026998EINECS 204-607-3NSC 66186UNII-Q95W9K98Y8Q95W9K98Y8NSC-661862,4,8-TRIMETHYLNONAN-6-ONEDTXCID306998RefChem:83061
名称をさらに表示
2,6,8-トリメチル-4-ノナノン2,4,8-トリメチルノナン-6-オン2,6,8-trimethylnonan-ISO-BUTYL HEPTYL KETONE2,6,8-TRIMETHYL-4-NONONE2,6,8-trimethyl-4-nonanon4-nonanone,2,6,8-trimethyl-
204-607-3GFWVDQCGGDBTBS-UHFFFAOYSA-N2,6,8-Trimethylnonan-4-oneMFCD00048361CAS-123-18-2NSC661862,8-Trimethyl-4-nonanone4-Nonanone,6,8-trimethyl-

データベース識別子

CAS
123-18-2
PubChem CID
61057
DTXSID
DTXSID7026998
ChEMBL
CHEMBL3187270
UNII
Q95W9K98Y8
EC Number
204-607-3
Nikkaji
J219.549F

物性

構造計算による物性

XLogP
3.8
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
6
重原子数
13

実験および物理化学的性質

FragrancesFragrance Ingredient (2,6,8-Trimethylnonan-4-one) -> IFRA transparency List
Physical DescriptionCBI

物理化学的性質

融点
-75.15 °C · -75.15°C
沸点
219 ℃ · 219℃
比重(密度)
0.819 · 0.819
屈折率
1.4233 · 1.4233
闪点
63 ℃ · 63℃
水溶解度
アルコールに溶け、水に溶けない。

化学的性質

化学的特性Trimethyl nonanone is a colorless liquid with a fruity odor. Its odor has also been described as obnoxious.

安全と法規制

GHS分類

GHS Classification · 4 件

This chemical does not meet GHS hazard criteria for 48.5% (83 of 171) of reports.

H411 (38.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 171 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 4-Nonanone, 2,6,8-trimethyl-

4-Nonanone, 2,6,8-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Nonanone, 2,6,8-trimethyl- 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)

Other Safety InformationIMAP assessments - 4-Nonanone, 2,6,8-trimethyl-: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 2 (38.6%)

安全データ

tsca
TSCA listed

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Use ClassificationFragrance Ingredients
General Manufacturing Information · 2 件

Paint and Coating Manufacturing

4-Nonanone, 2,6,8-trimethyl-: ACTIVE

調製方法 · 1 件

The U.S. production of trimethyl nonanone was estimated to be 1-＜10 million lb in 2005 according to the 2006 U.S.EPA Inventory Update Reporting database. Its primary uses are as a reactant, an industrial cleaner, a degreaser, and in the production of 2,6,8-trimethyl-4-nonanol.

サプライヤー10 社

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]

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