基本情報
- 標準SMILES
CN(C)C(C)(C)CO- InChIKey
XRIBIDPMFSLGFS-UHFFFAOYSA-N- 分子式
- C6H15NO
- 平均分子量
- 117.19 g/mol
- 単同位体質量
- 117.1153641
概要
structure given in first source; RN given refers to parent cpd
名称と識別子
- 優先名称
- 2-(Dimethylamino)-2-methylpropanol
- IUPAC
- 2-(dimethylamino)-2-methylpropan-1-ol
- 現地名
- 2-(ジメチルアミノ)-2-メチル-1-プロパノール
- 英語名
- 2-Dimethylamino-2-methyl-1-propanol
- 分子式
- C6H15NO
- 分子量
- 117.19
名称と別名
名称をさらに表示
データベース識別子
- CAS
7005-47-2- PubChem CID
- 23435
- DTXSID
DTXSID6044721- ChEMBL
CHEMBL3182117- UNII
- 6ZWG40UQ9E
- EC Number
- 230-279-6
- Nikkaji
- J50.973F
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 23.5 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
- 2
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 68.9
実験および物理化学的性質
物理化学的性質
- 融点
- 19 °C · 19°C
- 沸点
- 61 °C20 · 61 °C20 mm Hg
- 比重(密度)
- 0.95 g/mL · 0.95 g/mL at 20 °C(lit.)
- 蒸気圧
- 7.21 hPa · 7.21hPa at 25℃
- 屈折率
- 20 · n20/D 1.447
- 闪点
- 145 °F · 145 °F
- 酸解離定数(Pka)
- 15.86 · 15.86±0.10(Predicted)
- 外見
- powder to lump to clear liquid
- 色
- White or Colorless to Light yellow
- 水溶解度
- 1000 g/L · 1000g/L at 20℃
- BRN
- 1732837 · 1732837
- 化粧品成分の機能
- 防錆剤
- InChI
- InChI=1S/C6H15NO/c1-6(2,5-8)7(3)4/h8H,5H2,1-4H3
- InChIKey
- XRIBIDPMFSLGFS-UHFFFAOYSA-N
- SMILES
- C(O)C(N(C)C)(C)C
- LogP
- 0.09 at · 0.09 at 20℃
- CAS データベース
- 7005 · 7005-47-2(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1-Propanol, 2-(dimethylamino)-2-methyl- (7005-47-2)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (5 of 287) of reports.
Danger
H226 (70.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 287 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1-Propanol, 2-(dimethylamino)-2-methyl-
1-Propanol, 2-(dimethylamino)-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, 2-(dimethylamino)-2-methyl- 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)
Status: Active Update: 08-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11939
1-Propanol, 2-(dimethylamino)-2-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
安全データ
- F
- 10-34
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UB3325000
- ridadr
- UN 2735 8/PG 3
- hs_code
- 2922.19.9690
- risk_code
- 34-35
- 消防法
- 危-4-2-III
- hazard_code
- C
- safety_code
- 23-26-36/37/39-45
- hazard_class
- 3.2
- packing_group
- III
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
化学と産業
用途と製造
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
1-Propanol, 2-(dimethylamino)-2-methyl-: ACTIVE
応用分野
一般的な説明2-Dimethylamino-2-methylpropanol solution (DMAMP-80) is a propanol amine derivative. It is applicable as synthetic intermediate, emulsifying amine and vapor phase corrosion inhibitor. It shows low volatility and higher catalytic activity which makes it a viable alternative to DMEA (dimethylethanolamine) owing in the foam formulation process. It is a non-lachrymator, shows low toxicity profile and has been approved by FDA for indirect food contact. 2-Dimethylamino-2-methyl-1-propanol (DMAMP) has been reported to show good antimicrobial properties against a mixed flora of fungi and bacteria in cutting fluids. The photocatalytic degradation of DMAMP in the presence of TiO2 particles and UV-A (λ = 365nm) radiation has been investigated.
上流・下流製品情報
上流原料
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