3-Methyl-1,5-pentanediol (HCID 20524)

名称と識別子

優先名称: 3-Methyl-1,5-pentanediol
IUPAC: 3-methylpentane-1,5-diol
現地名: 3-メチル-1,5-ペンタンジオール
英語名: 3-Methyl-1,5-pentanediol
分子式: C6H14O2
分子量: 118.17

名称と別名

3-Methyl-1,5-pentanediol4457-71-01,5-Pentanediol, 3-methyl-1,5-Dihydroxy-3-methylpentaneUNII-88495M4HNSDIOL MPDBRN 1697331AI3-28481NSC 6496EINECS 224-709-188495M4HNSNSC-6496

名称をさらに表示

3-メチル-1,5-ペンタンジオール3-メチル-1,5-ペンタンジオ-ル３メチルペンタン１，５ジオル1,5-ジヒドロキシ-3-メチルペンタン3-メチル1,5-ペンタンジオール3-メチルペンタン-1,5-ジオール1,5-Pentanediol, 3-m3-Methyl-1,5-pentadiol3-methyl-5-pentanediol3-Methyl-1,5-pentandiol5-Pentanediol,3-methyl-13-methyl-pentane-1,5-diol3-Methyl-1,5-pentanediol>3-METHYL-1,5-PENTANEDIOL 98+%

METHYL-1,5-PENTANEDIOL, 3-DTXSID1063483EC 224-709-14-01-00-02571 (Beilstein Handbook Reference)RefChem:94691DTXCID9040342224-709-1SXFJDZNJHVPHPH-UHFFFAOYSA-N

データベース識別子

CAS: 4457-71-0
PubChem CID: 20524
DTXSID: DTXSID1063483
UNII: 88495M4HNS
EC Number: 224-709-1
Nikkaji: J34.907K

物性

構造計算による物性

XLogP: 0.3
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 8
形式電荷: 0
複雑度: 39.8

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid

物理化学的性質

融点: -60 °C · -60°C
沸点: 150 °C · 150 °C / 25mmHg
比重(密度): 0.974 g/mL · 0.974 g/mL at 20 °C (lit.)
蒸気圧: 0.072 Pa · 0.072Pa at 25℃
屈折率: 20 · n20/D 1.454
闪点: 143 °C · 143°C
貯蔵温度: 2 · 2-30°C
外見: clear liquid
酸解離定数(Pka): 14.78 · 14.78±0.10(Predicted)
比重: 0.976 · 0.976 (20/4℃)
色: Colorless
水溶解度: 1000 g/L · 1000g/L at 20℃
BRN: 1697331 · 1697331
InChI: 1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3
InChIKey: SXFJDZNJHVPHPH-UHFFFAOYSA-N
SMILES: CC(CCO)CCO
LogP: 0.03 at · 0.03 at 25℃
CAS データベース: 4457 · 4457-71-0(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,5-Pentanediol, 3-methyl-(4457-71-0)
EPAの化学物質情報: 3 · 3-Methyl-1,5-pentanediol (4457-71-0)

化学的性質

化学的特性Colorlessliquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.8% (1 of 131) of reports.

Warning

H319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 131 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 5 件

Chemical: 1,5-Pentanediol, 3-methyl-

Regulation (EC) No 1935/2004 (amended)

1,5-Pentanediol, 3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Pentanediol, 3-methyl- 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)

Status: Active Update: 26-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10455

1,5-Pentanediol, 3-methyl-: 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.

Hazard Classes and CategoriesEye Irrit. 2 (99.2%)

安全データ

wgk: 1
tsca: TSCA listed
rtecs: SA0800000
ridadr: 1987
hs_code: 2905399590
化審法: (2)-240
消防法: 危-4-3-III
safety_code: 23-24/25
Hazard Classifications: Eye Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: 50,000 - <75,000 lb

Consumer UsesIntermediate

Industry UsesMonomers

General Manufacturing Information · 2 件

Printing Ink Manufacturing

1,5-Pentanediol, 3-methyl-: ACTIVE

応用分野

使用3-Methyl-1,5-pentanediol is a reagent used in the preparation of lactones from diols using molecular oxygen oxidant and hydrotalcite-supported gold nanoparticles catalysts under mild conditions.