기본 정보
- CAS
5343-92-0- 표준 SMILES
CCCC(O)CO- InChIKey
WCVRQHFDJLLWFE-UHFFFAOYSA-N- 분자식
- C5H12O2
- 평균 분자량
- 104.15 g/mol
- 단동위원소 질량
- 104.08372962
개요
structure in first source
이름 및 식별자
- 우선 이름
- 1,2-Pentanediol
- IUPAC
- pentane-1,2-diol
- 현지명
- 1,2-펜탄디올
- 영어명
- 1,2-Pentanediol
- 분자식
- C5H12O2
- 분자량
- 104.15
이름 및 동의어
1,2-Pentanediol5343-92-0Pentylene glycol1,2-Dihydroxypentane50C1307PZGDTXSID10863522NSC-513RefChem:860099DTXCID80812123226-285-3Pentane-1,2-diolMFCD00010736
이름 더 보기
1,2-펜탄디올펜틸렌글라이콜PTD1,2-Pentanediol,97%Pentanediol,98%1,2-Pentanediol TDS free sample MSDS2-Pentanediol1,2-Pentanedi1,2 PentandiolPENTANDIOL-1,2
1,a2-aPentanediolUNII-50C1307PZGNSC 513(R)-1,2-Pentanediol1,2-Pentanediol,(2S)-WCVRQHFDJLLWFE-UHFFFAOYSA-EC 226-285-3PENTYLENE GLYCOL [WHO-DD]
데이터베이스 식별자
- CAS
5343-92-0- PubChem CID
- 93000
- DTXSID
DTXSID10863522- UNII
- 50C1307PZG
- EC Number
- 226-285-3
- Nikkaji
- J112.123E
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 37.1
실험 및 물리화학적 성질
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsCosmetic ingredients (Pentylene Glycol) -> CIR (Cosmetic Ingredient Review)
FragrancesFragrance Ingredient (1,_2-_Pentanediol) -> IFRA transparency List
Physical Description
Liquid
Yellow hygroscopic liquid; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 50.86 °C · 50.86°C (estimate)
- 끓는 점
- 206 °C · 206 °C (lit.)
- 밀도
- 0.971 g/mL · 0.971 g/mL at 25 °C (lit.)
- 증기압
- 1.5 Pa · 1.5Pa at 20℃
- 굴절률
- 20 · n20/D 1.439(lit.)
- 인화점
- 104 °C · 104 °C
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 클로로포름, 메탄올(약간)에 용해됨
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 14.49 · 14.49±0.20(Predicted)
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 6.5% (62 of 958) of reports.
Danger
H304 (46.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P264+P265, P280, P301+P316, P305+P354+P338, P317, P331, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 958 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,2-Pentanediol
1,2-Pentanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Pentanediol 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Pentane-1,2-diol (EC: 226-285-3)
1,2-Pentanediol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards Summary
Causes somnolence, excitement, and muscle weakness in oral lethal-dose studies of guinea pigs, mice, rabbits, and rats; [RTECS] May cause serious eye injury; [ECHA REACH Registrations] May cause irritation; [Acros Organics MSDS] See 3-Pentanol.
EPA Safer ChemicalChemical: Pentylene glycol
Hazard Classes and CategoriesAsp. Tox. 1 (46.8%)
독성 정보
화학 및 산업
용도 및 제조
Uses
CIR ingredient: Pentylene Glycol
Used to make fine chemicals, in industrial and professional cleaning and maintenance products, and in consumer washing and cleaning products, air care products, polishes and wax blends, inks and toners, and cosmetics and personal care products; [ECHA REACH Registrations]
U.S. Production2023: 550,000 - <1,000,000 lb
Industry UsesOther
Household ProductsInformation on 32 consumer products that contain Pentylene Glycol in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Fragrance Ingredients
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
1,2-Pentanediol: ACTIVE
응용 분야
개요1,2-Pentanediol, also known as 1,2-dihydroxypentane, is a colorless and odorless liquid which is miscible with water and polar organic solvents. It is a chiral molecule with one stereocenter. The compound is usually made by treating a mixture of 1-pentene and formic acid with hydrogen peroxide at<100 ℃. An optically active R-enantiomer of 1,2-pentanediol can be prepared by fermentation.
용도1,2-Pentanediol is used in synthesizing quinoxalines from biomass-derived glycols. Also used in the synthesis of propiconazole (P770100) a fungicide as well as other antifungals.
상·하류 제품 정보
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