3-メチルテトラヒドロフラン

3-Methyltetrahydrofuran

HCID 98230CAS 13423-15-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1CCOC1
InChIKey: LJPCNSSTRWGCMZ-UHFFFAOYSA-N
分子式: C5H10O
平均分子量: 86.13 g/mol
単同位体質量: 86.07316494

名称と識別子

優先名称: 3-Methyltetrahydrofuran
IUPAC: 3-methyloxolane
現地名: 3-メチルテトラヒドロフラン
英語名: 3-Methyltetrahydrofuran
分子式: C5H10O
分子量: 86.13

名称と別名

3-Methyltetrahydrofuran13423-15-9Furan, tetrahydro-3-methyl-EINECS 236-537-4DTXSID40871216EC 236-537-4NSC 91487RefChem:94967DTXCID80818887LJPCNSSTRWGCMZ-UHFFFAOYSA-N3-methyloxolaneTetrahydro-3-methylfuran

名称をさらに表示

3-メチルテトラヒドロフラン3-メチルオキソラン3-Mehtyl-THF1-METHYLTETRAHYDROFURAN3-METHYLTETRAHYDROFURAN 95+%(R,S)-3-Methyl-tetrahydro-furan

MFCD00039681Furan,tetrahydro-3-methyl-3-methyl tetrahydofuran3-methyl tetrahydrofurantetrahydro-3-methyl-Furan3-Methyl-tetra-hydrofuraneSCHEMBL10188SCHEMBL27399

データベース識別子

CAS: 13423-15-9
PubChem CID: 98230
DTXSID: DTXSID40871216
EC Number: 236-537-4
Nikkaji: J102.074I

物性

構造計算による物性

XLogP: 1
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 43.2

物理化学的性質

融点: -137 °C · -137°C (estimate)
沸点: 89 °C · 89 °C
比重(密度): 0 · 0,87 g/cm3
蒸気圧: 76 hPa · 76hPa at 20℃
屈折率: 1.41979 · 1.41979
闪点: -6 °C · -6°C
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 106 g/L · 106g/L at 25℃
InChI: InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3
InChIKey: LJPCNSSTRWGCMZ-UHFFFAOYSA-N
SMILES: O1CCC(C)C1
LogP: 1.3 at · 1.3 at 35℃
EPAの化学物質情報: -3 · Furan, tetrahydro-3-methyl- (13423-15-9)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 111 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Furan, tetrahydro-3-methyl-

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

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11437

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

tsca: TSCA listed
ridadr: 1993
hs_code: 2932190090
risk_code: 11
化審法: (5)-6303
消防法: 危-4-1-II
safety_code: 3/7-9-16-36/37/39
hazard_class: 3
packing_group: II

化学と産業

用途と製造

U.S. Production2020: 550,000 - <1,000,000 lb

Industry UsesMonomers

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Furan, tetrahydro-3-methyl-: ACTIVE

応用分野

使用3-Methyltetrahydrofuran (3-MTHF) is proposed to be a promising fuel component among the cyclic oxygenated species.

上流・下流製品情報

上流原料

Butanoic acid, 4-hydroxy-2-methyl-2-メチル-1,4-ブタンジオールイタコン酸ジメチル Tetrahydrofuran-3-carboxaldehyde 3-メチルフラン α-メチル-γ-ブチロラクトン 2-メチルテトラヒドロフランペンタン-1,4-ジオールイソプロピルアルコール酪酸

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