1,2,6-Hexanetriol (HCID 7823)

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 Å²
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): 4.5 · 4.5-7.5 (300g/l, H2O, 25℃)
수용성: 혼용 가능
BRN: 1304479 · 1304479
Henry's Law Constant: 2 · 2.0×109 mol/(m3Pa) at 25℃, Saxena and Hildemann (1996)
안정성: 안정적인. 타기 쉬운. 강한 산화제, 산 무수물, 산 염화물과 호환되지 않습니다.
화장품 원료 기능: 보습제점도 조절용제
InChI: 1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2
InChIKey: ZWVMLYRJXORSEP-UHFFFAOYSA-N
SMILES: OCCCCC(O)CO
LogP: -0.77 at · -0.77 at 25℃
NIST: 1 · 1,2,6-Hexanetriol(106-69-4)
EPA: 1 · 1,2,6-Hexanetriol (106-69-4)

화학적 성질

clear light yellow coloured, viscous liquid (*)

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 3건

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 · 1건

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
rtecs: MO4650000
ridadr: NA 1993 / PGIII
독성: LD50 orally in Rabbit: 15500 mg/kg
HS 번호: 2905 49 00
safety_code: 24/25
기존화학 물질: 97-3-20
스토리지 클래스: 10 - Combustible liquids

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 · 1건

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.