1,2,6-헥산트리올
1,2,6-Hexanetriol
기본 정보
- CAS
106-69-4- 표준 SMILES
OCCCCC(O)CO- InChIKey
ZWVMLYRJXORSEP-UHFFFAOYSA-N- 분자식
- C6H14O3
- 평균 분자량
- 134.17 g/mol
- 단동위원소 질량
- 134.09429431
개요
1,2,6-Hexanetriol is an aliphatic alcohol.
이름 및 식별자
- 우선 이름
- 1,2,6-Hexanetriol
- IUPAC
- hexane-1,2,6-triol
- 현지명
- 1,2,6-헥산트리올
- 영어명
- 1,2,6-Hexanetriol
- 분자식
- C6H14O3
- 분자량
- 134.17
이름 및 동의어
1,2,6-HEXANETRIOL106-69-41,2,6-TrihydroxyhexaneDTXSID0041224W45XXM0XWENSC404957NSC-404957DTXCID8021224RefChem:71584203-424-6Hexane-1,2,6-triolHexanetriol-1,2,6
이름 더 보기
1,2,6-헥산트리올1,2,6-헥산트라이올1,2,6-헥세인트라이올Hexane-1，2，6-triolhexane-1,UNII:W45XXM0XWEHexan-1,2,6-triol1,5,6-HexanetriolHEXANETRIOL(1,2,6-)1,2,6-Hexanetriol>1,2,6-HEXANETRIOL 97%1,2,6-HEXANETRIOL 97%
1,6-HexanetriolMFCD00002976NSC 404957Hexane-1,6-triolWLN: Q4YQ & 1Q4-01-00-02784 (Beilstein Handbook Reference)1,2,6-Trihydroxyhexane, >=95%H1069
데이터베이스 식별자
- CAS
106-69-4- PubChem CID
- 7823
- DTXSID
DTXSID0041224- ChEMBL
CHEMBL3184716- ChEBI
CHEBI:179443- UNII
- W45XXM0XWE
- EC Number
- 203-424-6
- Nikkaji
- J35.168G
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 56.3
실험 및 물리화학적 성질
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsHumectant; Skin conditioning; Emollient; Viscosity controlling; Solvent
Vapor Pressure0.0000791 [mmHg]
Physical DescriptionClear, light yellow, viscous liquid; [Aldrich MSDS]
물리화학적 성질
- 녹는점
- 25 · 25-32 °C
- 끓는 점
- 178 °C/5 · 178 °C/5 mmHg (lit.)
- 밀도
- 1.109 g/mL · 1.109 g/mL at 25 °C (lit.)
- 증기 밀도
- 4.63 · 4.63 (vs air)
- 증기압
- 0.01 mm · <0.01 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.476(lit.)
- 인화점
- 175 °F · 175 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- 점성 액체
- 산도 계수 (pKa)
- 14.38 · 14.38±0.20(Predicted)
- 색상
- 연노랑
- 수소이온지수(pH)
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 88.9% (8 of 9) of all reports.
Warning
H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,2,6-Hexanetriol
Status: Active Update: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21934
1,2,6-Hexanetriol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin irritant; Causes changes in structure or function of endocrine pancreas and other changes to the liver in lethal-dose studies of rats (intravenous and intraperitoneal routes); Causes altered sleep time, somnolence, and respiratory stimulation in subcutaneous lethal-dose studies of rats and mice; [RTECS] May cause irritation; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (11.1%)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
UsesUsed as a solvent and an intermediate for alkyd and polyester resins; [Hawley]
Use ClassificationCosmetics -> Humectant; Skin conditioning; Emollient; Viscosity controlling; Solvent
General Manufacturing Information1,2,6-Hexanetriol: ACTIVE
응용 분야
용도1,2,6-Hexanetriol is used as moisturizing agent (cremes), as solvent (pharmaceuticals) and as crosslinker in plastics. It acts as wetting agent of tobacco and special hydraulic fluid. It is used in the production of alkyd resins, celluloid, polyurethane and synthetic rubber.
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