2,6-ジメチル-3,5-ヘプタンジオン

3,5-Heptanedione, 2,6-dimethyl-

HCID 87597CAS 18362-64-6
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(C)C(=O)CC(=O)C(C)C
InChIKey
CEGGECULKVTYMM-UHFFFAOYSA-N
分子式
C9H16O2
平均分子量
156.22 g/mol
単同位体質量
156.11502975

名称と識別子

優先名称
3,5-Heptanedione, 2,6-dimethyl-
IUPAC
2,6-dimethylheptane-3,5-dione
現地名
2,6-ジメチル-3,5-ヘプタンジオン
英語名
2,6-Dimethyl-3,5-heptanedione
分子式
C9H16O2
分子量
156.22

名称と別名

2,6-Dimethyl-3,5-heptanedione18362-64-63,5-Heptanedione, 2,6-dimethyl-EINECS 242-234-8DTXSID80879615RefChem:91638DTXCID201017624CEGGECULKVTYMM-UHFFFAOYSA-N2,6-Dimethylheptane-3,5-dioneMFCD00015040DiisobutyrylmethaneSCHEMBL181668
名称をさらに表示
2,6-ジメチル-3,5-ヘプタンジオンジイソブチリルメタン2,6-ジメチルヘプタン-3,5-ジオン2,6-ジメチル-3,5-ヘプタジオン2，6ジメチル3，5ヘプタンジオン2,6-dimethyl-5-heptanedioneAKOS MSC-03842,6-Dimethylheptan-3,5-dion2,6-Dimethyl-3,5-heptadione2,6-Dimethyl-3,5-heptanedione>2,6-Dimethyl-3,5-heptanedione,99%
2,6-dimethyl-3,5-heptandione2,6-dimethyl-heptane-3,5-dioneSBB056494AKOS004115273CS-W017999AS-47892SY010595A4059

データベース識別子

CAS
18362-64-6
PubChem CID
87597
DTXSID
DTXSID80879615
EC Number
242-234-8
Nikkaji
J266.134I

物性

構造計算による物性

XLogP
1.9
極性表面積
34.1 Ų
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
4
重原子数
11

実験および物理化学的性質

Kovats Retention Index1120；1076

物理化学的性質

沸点
66 °C · 66 °C (8 mmHg)
比重(密度)
1.4586 · 1.4586
屈折率
1.4575 · 1.4575-1.4595
闪点
62 °C · 62 °C
貯蔵温度
2 · 2-8°C
酸解離定数(Pka)
10.3 · 10.30±0.10(Predicted)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (92.9%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 3 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

Hazard Classes and CategoriesFlam. Liq. 3 (92.9%)；Skin Irrit. 2 (92.9%)；Eye Irrit. 2 (92.9%)；STOT SE 3 (92.9%)

安全データ

tsca
TSCA listed
ridadr
1224
hs_code
29141990
risk_code
36/37/38
消防法
危-4-2-III
hazard_code
Xi

化学と産業

用途と製造

General Manufacturing Information3,5-Heptanedione, 2,6-dimethyl-: ACTIVE

応用分野

使用2,6-Dimethyl-3,5-heptanedione is a metal chelating agent and it is used in the preparation of metal diketonates for Metal-Organic Chemical Vapor Deposition (MOCVD).

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

関連反応

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