Pinacol (HCID 6425)｜Huagongshe

개요

Pinacol is a glycol that is ethylene glycol in which all four methylene hydrogens have been replaced by methyl groups.

이름 및 식별자

우선 이름: Pinacol
IUPAC: 2,3-dimethylbutane-2,3-diol
영어명: Pinacol
분자식: C6H14O2
분자량: 118.17

이름 및 동의어

PINACOL76-09-52,3-Dimethylbutane-2,3-diol2,3-Dimethyl-2,3-butanediolPinaconeTetramethylethylene glycol2,3-Butanediol, 2,3-dimethyl-1,1,2,2-Tetramethylethylene glycol2,3-Dihydroxy-2,3-dimethylbutane2,3-Dimethyl-2,3-dihydroxybutane527QE7I5CONSC-25943

이름 더 보기

PinakolPINACOL ANHYDROUSPicolPinatolPinacol,99%Pinacol 98%

DTXSID3058793CHEBI:131185RefChem:174293DTXCID5047825200-933-5MFCD000044622,3-Dimethyl-butane-2,3-diolEINECS 200-933-5

데이터베이스 식별자

CAS: 76-09-5
PubChem CID: 6425
DTXSID: DTXSID3058793
ChEMBL: CHEMBL3289669
ChEBI: CHEBI:131185
UNII: 527QE7I5CO
EC Number: 200-933-5
Nikkaji: J4.440G

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 72.5

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesBoiling point

LogP-0.05

Vapor Pressure0.5 [mmHg]

Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 40 · 40-43 °C (lit.)
끓는 점: 171 · 171-172 °C/739 mmHg (lit.)
밀도: 0.967 g/cm3 · 0.967 g/cm3 (20℃)
굴절률: 1.4347 · 1.4347 (estimate)
인화점: 171 °F · 171 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 알코올: 자유롭게 용해됨
산도 계수 (pKa): 14.8 · 14.80±0.29(Predicted)
물리적 상태: 결정질 저융점 고체
색상: 하얀색
냄새: 100 %에서 · 100.00%에서. 우디 흙빛 파출리 따뜻한 빵
냄새 유형: 우디
수용성: 뜨거운 물, 알코올, 디에틸에테르에 용해됩니다.
Merck: 14 · 14,7439
BRN: 1340501 · 1340501
Henry's Law Constant: 1 · 1.0×102 mol/(m3Pa) at 25℃, Wang et al. (2017)
Dielectric constant: 7.4 · 7.4(24℃)
안정성: 안정적인. 타기 쉬운. 강산화제, 강염기, 강산과 호환되지 않습니다.
화장품 원료 기능: 향수
InChI: 1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3
InChIKey: IVDFJHOHABJVEH-UHFFFAOYSA-N
SMILES: CC(C)(O)C(C)(C)O
LogP: 0.54 · 0.540
NIST: 2 · 2,3-Butanediol, 2,3-dimethyl-(76-09-5)
EPA: 2 · 2,3-Butanediol, 2,3-dimethyl- (76-09-5)

화학적 성질

white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (74.2%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 66 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2,3-Butanediol, 2,3-dimethyl-

Status: Active Update: 09-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18466

2,3-Butanediol, 2,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA moderate skin irritant; Causes anticonvulsant behavior in oral lethal-dose studies of mice; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See 2,3-Butanediol.

Hazard Classes and CategoriesFlam. Sol. 1 (74.2%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: EK1720000
HS 번호: 29053990
risk_code: 38-36/37/38-11
hazard_code: Xi,F
safety_code: 37-37/39-26
F 고인화성물질: 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2,3-Butanediol, 2,3-dimethyl-: ACTIVE

응용 분야 · 3건

출처Has apparently not been reported to occur in nature.

용도pinacol be used as organic intermediates.The pinacol coupling reaction with the inorganic electride [Ca2N](+)·e(−) as an electron donor in organic solvents was studied. Pinacol is used in the synthesis of organic reagents such as alkenylphenylphosphonates and alkenylboronates.

일반 설명The pinacol coupling reaction with the inorganic electride [Ca2N](+)·e() as an electron donor in organic solvents was studied.

제조 방법

By the bimolecular reduction of acetone.

상·하류 제품 정보

상류 원료

염화수은(II)

하류 제품

2-(2-이소프로필페닐)-4,4,5,5-테트라메틸-1,3,2-디옥사보롤란 1-Methyl-4-pyrazole boronic acid pinacol ester 4-((N,N-DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDE Isopropenylboronic acid pinacol ester 4-카르복시 페닐 붕소산 피나콜 에스테르 2-[3-(2-FURYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE 4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER Bis(pinacolato)diboron 피나콜린 2,3-디메틸-1,3-부타디엔 5-AMINOPYRIDINE-2-붕소산피나콜에스테르 2-(1-FLUORONAPHTHALEN-4-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

공급사50 곳

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]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명

정의ChEBI: A glycol that is ethylene glycol in which all four methylene hydrogens have been replaced by methyl groups.

연결된 노트

불러오는 중…

Pinacol

기본 정보

개요