1-シクロヘキシル-2-ピロリドン

N-Cyclohexyl-2-pyrrolidone

HCID 81278CAS 6837-24-7

基本情報

標準SMILES
O=C1CCCN1C1CCCCC1
InChIKey
PZYDAVFRVJXFHS-UHFFFAOYSA-N
分子式
C10H17NO
平均分子量
167.25 g/mol
単同位体質量
167.13101417

名称と識別子

優先名称
N-Cyclohexyl-2-pyrrolidone
IUPAC
1-cyclohexylpyrrolidin-2-one
現地名
1-シクロヘキシル-2-ピロリドン
英語名
N-Cyclohexyl-2-pyrrolidone
分子式
C10H17NO
分子量
167.25

名称と別名

6837-24-71-cyclohexylpyrrolidin-2-oneN-Cyclohexyl-2-pyrrolidone2-Pyrrolidinone, 1-cyclohexyl-N-CyclohexylpyrrolidoneCyclohexyl pyrrolidone7IM8P1VVNMDTXSID7044716DTXCID50247161-cyclohexylpyrrolidoneRefChem:163139229-919-7
名称をさらに表示
1-シクロヘキシル-2-ピロリドン1-シクロヘキシルピロリジン-2-オン1-シクロヘキシル-2-ピロリジノンN-シクロヘキシル-2-ピロリドンN-シクロヘキシル-2-ピロリジノンCHPn-cyclohexylSid470pSLC9A1BPCyclohexyl-2-pyrrolidLABOTEST-BB LT00159787Cyclohexyl-2-pyrrolidone
1-Cyclohexyl-2-pyrrolidone1-Cyclohexyl-2-pyrrolidinoneN-CyclohexylpyrrolidinoneUNII-7IM8P1VVNMEINECS 229-919-7MFCD00003191BRN 01218321-cyclohexyl-pyrrolidin-2-one

データベース識別子

CAS
6837-24-7
PubChem CID
81278
DTXSID
DTXSID7044716
ChEMBL
CHEMBL3183929
UNII
7IM8P1VVNM
EC Number
229-919-7
Nikkaji
J150.014G

物性

構造計算による物性

XLogP
1.6
極性表面積
20.3 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
1
重原子数
12

実験および物理化学的性質

Physical Description · 2 件

Liquid

Pale yellow liquid; [Alfa Aesar MSDS]

Collision Cross Section · 1 件

157.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044716];140.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044716];139.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7044716]

物理化学的性質

融点
12 °C · 12 °C
沸点
154 °C7 · 154 °C7 mm Hg(lit.)
比重(密度)
1.007 g/mL · 1.007 g/mL at 25 °C(lit.)
蒸気圧
0.05 mm · 0.05 mm Hg ( 25 °C)
屈折率
20 · n20/D 1.499(lit.)
闪点
230 °F · >230 °F

化学的性質

化学的特性clear liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302+H312 (25.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (98.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (71.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 153 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

2-Pyrrolidinone, 1-cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1-cyclohexyl- 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: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21831

2-Pyrrolidinone, 1-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

No adverse fetal effects observed in rats or rabbits by oral administration during organogenesis; [Shepard's Catalog of Teratogenic Agents] A severe skin and eye irritant; Causes other changes of the liver, kidney, ureter, and bladder in oral lethal-dose studies of rats; [RTECS] An irritant that may cause serious eye injury; Highly toxic by inhalation; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See N-Ethyl-2-pyrrolidone and N-Methyl-2-pyrrolidone.

Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Corr. 1B (98.7%);Eye Dam. 1 (71.2%)

毒性情報

Toxicity DataLC50 (rat) = 120 ppm/1hr

法規制情報

Regulatory Information · 3 件

2-Pyrrolidinone, 1-cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1-cyclohexyl- 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: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21831

2-Pyrrolidinone, 1-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
1
tsca
TSCA listed
rtecs
UY5748450
ridadr
UN 2810 6.1/PG 2
hs_code
29337900
risk_code
22-36/37/38-26-21/22-34

化学と産業

用途と製造

U.S. Production2023: <50,000 lb;2022: <50,000 lb;2021: 50,000 - <250,000 lb;2020: 50,000 - <250,000 lb
Industry UsesSolvent
General Manufacturing Information · 2 件

Synthetic Dye and Pigment Manufacturing

2-Pyrrolidinone, 1-cyclohexyl-: ACTIVE

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

関連反応

15 件

関連ノート

読み込み中…