기본 정보
- 표준 SMILES
CCCCOP(=O)(CCCC)OCCCC- InChIKey
JPGXOMADPRULAC-UHFFFAOYSA-N- 분자식
- C12H27O3P
- 평균 분자량
- 250.31 g/mol
- 단동위원소 질량
- 250.16978135
이름 및 식별자
- 우선 이름
- Dibutyl butylphosphonate
- IUPAC
- 1-[butoxy(butyl)phosphoryl]oxybutane
- 영어명
- Dibutyl butanephosphonate
- 분자식
- C12H27O3P
- 분자량
- 250.31
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
78-46-6- PubChem CID
- 6539
- DTXSID
DTXSID6052536- UNII
- 5GO20BIE6O
- EC Number
- 201-119-2
- Nikkaji
- J50.237E
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 181
실험 및 물리화학적 성질
Density
0.948 @ 20 °C/4 °C
0.948 @ 20°C
물리화학적 성질
- 끓는 점
- 283 °C · 283 °C(lit.)
- 밀도
- 0.946 g/mL · 0.946 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.432(lit.)
- 인화점
- 230 °F · >230 °F
- 수용성
- 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
- 표면장력
- 27.4 mN/m · 27.4mN/m at 298.15K
- NIST
- Phosphonic acid, butyl-, dibutyl ester(78-46-6)
- EPA
- Phosphonic acid, butyl-, dibutyl ester (78-46-6)
안전 및 규제
GHS 분류
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.
유해성 정보
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.
안전 및 보호
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]
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SZ7000000
- 유해 물질 데이터
- 78-46-6(Hazardous Substances Data)
화학 및 산업
용도 및 제조
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
응용 분야
용도Dibutyl Butylphosphonate is a reagent used in organic synthesis. It is used for uranium extractions as well as in the plasticizing industry.
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