기본 정보
- 표준 SMILES
CCCCOCOCCCC- InChIKey
QLCJOAMJPCOIDI-UHFFFAOYSA-N- 분자식
- C9H20O2
- 평균 분자량
- 160.25 g/mol
- 단동위원소 질량
- 160.14632988
이름 및 식별자
- 우선 이름
- Dibutoxymethane
- IUPAC
- 1-(butoxymethoxy)butane
- 현지명
- 포름알데히드디노르말부틸아세탈
- 영어명
- Dibutoxymethane
- 분자식
- C9H20O2
- 분자량
- 160.25
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2568-90-3- PubChem CID
- 17379
- DTXSID
DTXSID3062528- UNII
- V5WWR58LDU
- EC Number
- 219-909-0
- Nikkaji
- J112.977E
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 56.6
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -58.1 °C · -58.1°C
- 끓는 점
- 180 °C · 180°C
- 밀도
- 0 · 0,84 g/cm3
- 증기압
- 1 · 1-1.11hPa at 22.7-25℃
- 굴절률
- 20 · n20/D1.406
- 인화점
- 60 °C · 60°C
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 수용성
- 222.5 · 222.5-250mg/L at 20℃
- 화장품 원료 기능
- 계면활성제 - 유화제세척제용제
- InChI
- 1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3
- InChIKey
- QLCJOAMJPCOIDI-UHFFFAOYSA-N
- SMILES
- CCCCOCOCCCC
- LogP
- 2.77 · 2.77-4.1 at 20-21.5℃
- EPA
- 1 · Butane, 1,1'-[methylenebis(oxy)]bis- (2568-90-3)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 143) of reports.
Warning
H226 (99.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 143 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Butane, 1,1'-[methylenebis(oxy)]bis-
Butane, 1,1'-[methylenebis(oxy)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 1,1'-[methylenebis(oxy)]bis- 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: 17-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11620
Butylal: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- 3271
- HS 번호
- 2911.00.5000
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 포장분류
- III
- 위험 등급
- 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
응용 분야
용도Formaldehyde dibutyl acetal is a halogen-free and less toxic solvent that can be used to solubilize commercial low-density polyethylene (LDPE) samples to analyze molecular weight distribution using gel permeation chromatography (GPC). It can also be used as a reactant to prepare butoxymethyltriphenylphosphonium iodide, which is used for carbon homologation and also as a useful key intermediate in organic synthesis.
일반 설명Formaldehyde dibutyl acetal is an acetal used in the manufacture of synthetic resins, antiseptics, deodorants, and fungicides. It is also used as a fuel additive to increase the octane number of gasoline or the n-cetane number of diesel fuels and reduce smoke and particulate emissions.
제조 방법
A flask containing 15 gm (0.5 mole) of paraformaldehyde, 74 gm (1.0 mole) of η-butyl alcohol, and 2.0 gm of anhydrous ferric chloride is refluxed for 10 hr. The lower layer of 3-4 ml of material is discarded and then 50 ml of 10% aqueous sodium carbonate solution is added to remove the ferric chloride as ferric hydroxide. The product is shaken with a mixture of 40 ml of 20% hydrogen peroxide and 5 ml of 10% sodium carbonate solution at 45°C in order to remove any remaining aldehyde. The product is also washed with water, dried, and distilled from excess sodium metal to afford 62 gm (78%).
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