3-メチルテトラヒドロフラン
3-Methyltetrahydrofuran
基本情報
- CAS
13423-15-9- 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 Ų
- 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
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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
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
関連反応
11 件
化合物ノート
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