基本情報
- 標準SMILES
CCCCOP(=O)(CCCC)OCCCC- InChIKey
JPGXOMADPRULAC-UHFFFAOYSA-N- 分子式
- C12H27O3P
- 平均分子量
- 250.31 g/mol
- 単同位体質量
- 250.16978135
名称と識別子
- 優先名称
- Dibutyl butylphosphonate
- IUPAC
- 1-[butoxy(butyl)phosphoryl]oxybutane
- 現地名
- ブチルホスホン酸ジブチル
- 英語名
- Dibutyl butanephosphonate
- 分子式
- C12H27O3P
- 分子量
- 250.31
名称と別名
名称をさらに表示
データベース識別子
- CAS
78-46-6- PubChem CID
- 6539
- DTXSID
DTXSID6052536- UNII
- 5GO20BIE6O
- EC Number
- 201-119-2
- Nikkaji
- J50.237E
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 11
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 181
実験および物理化学的性質
Density
0.948 @ 20 °C/4 °C
0.948 @ 20°C
物理化学的性質
- 沸点
- 283 °C · 283 °C(lit.)
- 比重(密度)
- 0.946 g/mL · 0.946 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.432(lit.)
- 闪点
- 230 °F · >230 °F
- 水溶解度
- 0.5 g/L · 0.5g/L(25℃)
- BRN
- 1777999 · 1777999
- InChI
- InChI=1S/C12H27O3P/c1-4-7-10-14-16(13,12-9-6-3)15-11-8-5-2/h4-12H2,1-3H3
- InChIKey
- JPGXOMADPRULAC-UHFFFAOYSA-N
- SMILES
- P(CCCC)(=O)(OCCCC)OCCCC
- 表面張力
- 27.4 mN/m · 27.4mN/m at 298.15K
- CAS データベース
- 78 · 78-46-6
- NISTの化学物質情報
- Phosphonic acid, butyl-, dibutyl ester(78-46-6)
- EPAの化学物質情報
- Phosphonic acid, butyl-, dibutyl ester (78-46-6)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 97.6% (40 of 41) of all reports.
Not Classified
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Phosphonic acid, butyl-, dibutyl ester
Phosphonic acid, butyl-, dibutyl ester: 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.
Fire Potential
COMBUSTIBLE.
FIRE HAZARD: SLIGHT, WHEN EXPOSED TO HEAT OR FLAME.
安全と保護具
Storage Conditions
IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.
Protective Action Criteria (PAC)
0.18 [mg/m3]
2.0 [mg/m3]
12 [mg/m3]
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SZ7000000
- 有毒物質データの
- 78-46-6(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used as a solvent extraction agent for uranium and other heavy metals and as a gasoline additive, antifoam agent, plasticizer, textile conditioner, and antistatic agent; [HSDB]
Petroleum Production and Refining [Category: Industry]
TEXTILE CONDITIONER & ANTISTATIC AGENT
SOLVENT EXTRACTION AGENT FOR URANIUM & OTHER HEAVY METALS, GASOLINE ADDITIVE, ANTIFOAM AGENT, PLASTICIZER, TEXTILE CONDITIONER, ANTISTATIC AGENT
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) No Data
(1975) No Data
応用分野
使用Dibutyl Butylphosphonate is a reagent used in organic synthesis. It is used for uranium extractions as well as in the plasticizing industry.
調製方法
純化方法Purify by three recrystallisations of its compound with uranyl nitrate, from hexane. For method, see tributyl phosphate.
上流・下流製品情報
下流製品
サプライヤー32 社
関連反応
関連ノート
読み込み中…