1,2,6-Hexanetriol (HCID 7823)

概要

1,2,6-Hexanetriol is an aliphatic alcohol.

名称と識別子

優先名称: 1,2,6-Hexanetriol
IUPAC: hexane-1,2,6-triol
現地名: 1,2,6-ヘキサントリオール
英語名: 1,2,6-Hexanetriol
分子式: C6H14O3
分子量: 134.17

名称と別名

1,2,6-HEXANETRIOL106-69-41,2,6-TrihydroxyhexaneDTXSID0041224W45XXM0XWENSC404957NSC-404957DTXCID8021224RefChem:71584203-424-6Hexane-1,2,6-triolHexanetriol-1,2,6

名称をさらに表示

1,2,6-ヘキサントリオール1,5,6-ヘキサントリオール1,2,6-トリヒドロキシヘキサンヘキサン-1,2,6-トリオール1,2,6‐ヘキサントリオールHexane-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

データベース識別子

CAS: 106-69-4
PubChem CID: 7823
DTXSID: DTXSID0041224
ChEMBL: CHEMBL3184716
ChEBI: CHEBI:179443
UNII: W45XXM0XWE
EC Number: 203-424-6
Nikkaji: J35.168G

物性

構造計算による物性

XLogP: -0.7
極性表面積: 60.7 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 9
形式電荷: 0
複雑度: 56.3

実験および物理化学的性質

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]

物理化学的性質

融点: 25 · 25-32 °C
沸点: 178 °C/5 · 178 °C/5 mmHg (lit.)
比重(密度): 1.109 g/mL · 1.109 g/mL at 25 °C (lit.)
蒸気密度: 4.63 · 4.63 (vs air)
蒸気圧: 0.01 mm · <0.01 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.476(lit.)
闪点: 175 °F · 175 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: 粘性液体
酸解離定数(Pka): 14.38 · 14.38±0.20(Predicted)
色: ライトイエロー
PH: 4.5 · 4.5-7.5 (300g/l, H2O, 25℃)
水溶解度: 混和性
BRN: 1304479 · 1304479
Henry's Law Constant: 2 · 2.0×109 mol/(m3Pa) at 25℃, Saxena and Hildemann (1996)
安定性: 安定。可燃性。強酸化剤、酸無水物、酸塩化物とは相容れない。
化粧品成分の機能: 保湿剤粘度制御溶媒
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℃
CAS データベース: 106 · 106-69-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,2,6-Hexanetriol(106-69-4)
EPAの化学物質情報: 1 · 1,2,6-Hexanetriol (106-69-4)

化学的性質

化学的特性clear light yellow coloured, viscous liquid (*)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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 · 1 件

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%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk: 1
tsca: TSCA listed
rtecs: MO4650000
ridadr: NA 1993 / PGIII
毒性: LD50 orally in Rabbit: 15500 mg/kg
hs_code: 2905 49 00
化審法: (2)-244
消防法: 危-4-3-III
safety_code: 24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

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

応用分野 · 1 件

使用1,2,6-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.