기본 정보
- CAS
78-26-2- 표준 SMILES
CCCC(C)(CO)CO- InChIKey
JVZZUPJFERSVRN-UHFFFAOYSA-N- 분자식
- C7H16O2
- 평균 분자량
- 132.2 g/mol
- 단동위원소 질량
- 132.11502975
이름 및 식별자
- 우선 이름
- 2-Methyl-2-propylpropane-1,3-diol
- IUPAC
- 2-methyl-2-propylpropane-1,3-diol
- 현지명
- 2-메틸-2-프로필-1,3-프로판디올
- 영어명
- 2-Methyl-2-propyl-1,3-propanediol
- 분자식
- C7H16O2
- 분자량
- 132.2
이름 및 동의어
78-26-22-Methyl-2-propyl-1,3-propanediol2-Methyl-2-propylpropane-1,3-diol1,3-Propanediol, 2-methyl-2-propyl-2-Methyl-2-n-propyl-1,3-propanediolNSC 262332,2-Dimethylol-pentaneYLM5KRU0P4EINECS 201-099-5AI3-24844NSC-26233CARISOPRODOL IMPURITY C [EP IMPURITY]
이름 더 보기
2-메틸-2-프로필-1,3-프로판디올DURANOLDimethylolpentane,97%Pentane-2,2-dimethanolCarisoprodol iMpurity CCarisoprodol EP Impurity CCarisoprodol intermediate H
DTXSID9058814EC 201-099-5CARISOPRODOL IMPURITY C (EP IMPURITY)RefChem:4752192,2Bis(hydroxymethyl)pentane2Methyl2propyl1,3propanediol2Methyl2propylpropane1,3diol2Methyl2npropyl1,3propanediol
데이터베이스 식별자
- CAS
78-26-2- PubChem CID
- 66220
- DTXSID
DTXSID9058814- UNII
- YLM5KRU0P4
- EC Number
- 201-099-5
- Nikkaji
- J100.448D
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 67.3
실험 및 물리화학적 성질
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesDensity
Physical DescriptionBeige flakes; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 57 · 57-59 °C (lit.)
- 끓는 점
- 230 °C/753 · 230 °C/753 mmHg (lit.)
- 밀도
- 0.9744 · 0.9744 (rough estimate)
- 굴절률
- 1.4474 · 1.4474 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 14.57 · 14.57±0.10(Predicted)
- 색상
- 하얀색
- BRN
- 1734432 · 1734432
- InChI
- InChI=1S/C7H16O2/c1-3-4-7(2,5-8)6-9/h8-9H,3-6H2,1-2H3
- InChIKey
- JVZZUPJFERSVRN-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 6.2% (1 of 16) of reports.
Warning
H302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 16 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: 1,3-Propanediol, 2-methyl-2-propyl-
Status: Active Update: 27-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19100
1,3-Propanediol, 2-methyl-2-propyl-: 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.
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (93.8%)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- TY9386000
- HS 번호
- 2905399590
- risk_code
- 36-22
화학 및 산업
용도 및 제조
UsesUsed to make fine chemicals; [ExPub: ECHA REACH Registrations]
General Manufacturing Information1,3-Propanediol, 2-methyl-2-propyl-: ACTIVE
응용 분야
개요2-Methyl-2-propyl-1,3-propanediol is produced either by the salt-free procedure based on aldol addition followed by hydrogenation or by the classical combination of hydroxymethylation and Cannizzaro-type disproportionation with formaldehyde. The production costs are considerably higher than for neopentyl glycol, because the synthesis of 2-methylpentanal from propanal requires two additional steps: aldol condensation and hydrogenation.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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