1,4-Butanediol

HCID 8064CAS 110-63-4

기본 정보

표준 SMILES
OCCCCO
InChIKey
WERYXYBDKMZEQL-UHFFFAOYSA-N
분자식
C4H10O2
평균 분자량
90.12 g/mol
단동위원소 질량
90.06807956

이름 및 식별자

우선 이름
1,4-Butanediol
IUPAC
butane-1,4-diol
현지명
1,4-부탄디올
영어명
1,4-Butanediol
분자식
C4H10O2
분자량
90.12

이름 및 동의어

1,4-BUTANEDIOLButane-1,4-diol110-63-4Tetramethylene glycol1,4-Butylene glycol1,4-Dihydroxybutane1,4-Tetramethylene glycolSucol BTetramethylene 1,4-diolDIOL 14B1,4-BDAgrisynth B1D
이름 더 보기
1,4-부탄디올1,4-디하이드록시부탄1,4-Dihydroxybutane,뷰틸렌글리콜1,4-뷰테인디올1,4-테트라메틸렌글리콜부틸렌글리콜테트라메틸렌1,4-디올1,4-뷰테인다이올1,4-다이하이드록시부탄1,4-뷰틸렌 글리콜1,4-테트라메틸 글리콜디올 14B부탄-1,4-디올부탄디올뷰틸렌 글리콜수콜 B테트라메틸렌 1,4-디올테트라메틸렌 글리콜BDOButanediol1,4-Butandiol1,4-Butylenesucolb
DTXSID20246667XOO2LE6G3NSC-406696DTXCID804666CHEBI:41189RefChem:6711203-786-5615-930-8

데이터베이스 식별자

CAS
110-63-4、732189-03-6
PubChem CID
8064
DTXSID
DTXSID2024666
ChEMBL
CHEMBL171623
ChEBI
CHEBI:41189
UNII
7XOO2LE6G3
EC Number
203-786-5、615-930-8
Nikkaji
J5.097K

물성

구조 계산 물성

XLogP
-0.8
극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
6

물리화학적 성질

녹는점
16 °C · 16 °C (lit.)
끓는 점
230 °C · 230 °C (lit.)
밀도
1.017 g/mL · 1.017 g/mL at 25 °C (lit.)
증기 밀도
3.1 · 3.1 (vs air)
증기압
0.1 hPa · <0.1 hPa (20 °C)
굴절률
20 · n20/D 1.445(lit.)
화학적 성질 · 1건

1,4-butanediol (1,4-BD) is a colorless, viscous liquid derived from butane by placement of alcohol groups at each end of its molecular chain and is one of four stable isomers of butanediol.the hydroxyl function of each end group of the Butanediol reacts with different mono- and bifunctional reagents: for example with dicarboxylic acids to polyesters, with diisocyanates to polyurethanes, or with phosgene to polycarbonates. 1.4-Butanediol (BDO) is a high-quality intermediate. BDO and its derivatives are widely used for producing plastics, solvents, electronic chemicals and elastic fibers. Additionally BDO is also a building block for the synthesis of polyesterpolyols and polyetherpolyols. BASF is the most significant producer of 1,4-Butanediol and its derivatives worldwide.

안전 및 규제

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
EK0525000
독성
LD50 orally in Rabbit: 1525 mg/kg LD50 dermal Rabbit > 2000 mg/kg
HS 번호
29053980
risk_code
22-67

화학 및 산업

응용 분야 · 2건

용도Butanediol and its derivatives is used in a broad spectrum of applications in the chemical industry; amongst others in the manufacturing of technical plastics, polyurethanes, solvents, electronic chemicals and elastic fibres. 1,4-Butanediol is used in the synthesis of epothilones, a new class of cancer drugs. Also used in the stereoselective synthesis of (-)-Brevisamide. 1,4-Butanediol's largest use is within tetrahydrofuran (THF) production, used to make polytetramethylene ether glycol, which goes mainly into spandex fibers, urethane elastomers, and copolyester ethers. It is commonly used as a solvent in the chemical industry to manufacture gamma-butyrolactone and elastic fibers like spandex. It is used as a cross-linking agent for thermoplastic urethanes, polyester plasticizers, paints and coatings. It undergoes dehydration in the presence of phosphoric acid yielded teterahydrofuran, which is an important solvent used for various applications. It acts an intermediate and is used to manufacture polytetramethylene ether glycol (PTMEG), polybutylene terephthalate (PBT) and polyurethane (PU). It finds application as an industrial cleaner and a glue remover. 1,4-butanediol is also used as a plasticiser (e.g. in polyesters and cellulosics), as a carrier solvent in printing ink, a cleaning agent, an adhesive (in leather, plastics, polyester laminates and polyurethane footwear), in agricultural and veterinary chemicals and in coatings (in paints, varnishes and films).

일반 설명Odorless colorless liquid or solid (depending upon temperature).

제조 방법 · 1건

생산 방법Methods of manufacturing: The most prevalent 1,4-BD production route worldwide is BASF's Reppe process, which reacts acetylene and formaldehyde. Acetylene reacts with two equivalents of formaldehyde to form 1,4-butynediol, also known as but-2-yne- 1,4-diol. Hydrogenation of 1,4-butynediol gives 1,4-butanediol. 1,4-BD is also made on a large industrial scale by continuous hydrogenation of the 2-butyne- 1,4-diol over modified nickel catalysts. The one-stage flow process is carried out at 80 - 160°C and 300 bar. Mitsubishi uses a three-step process: (1) the catalytic reaction of butadiene and acetic acid yields 1,4-diacetoxy-2-butene; (2) subsequent hydrogenation gives 1,4-diacetoxybutane; and (3) hydrolysis leads to 1,4-butanediol.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

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334건

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