CAS 4795-86-2 Pinane, cis-(+)- (HCID 10953595)

基本情報

CAS: 4795-86-2
標準SMILES: C[C@H]1CC[C@@H]2C[C@H]1C2(C)C
InChIKey: XOKSLPVRUOBDEW-DJLDLDEBSA-N
分子式: C10H18
平均分子量: 138.25 g/mol
単同位体質量: 138.14085057

名称と識別子

優先名称: Pinane, cis-(+)-
IUPAC: (1R,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
現地名: (1R,5R)-2α,6,6-トリメチルビシクロ[3.1.1]ヘプタン
英語名: (1R)-(+)-cis-Pinane
分子式: C10H18
分子量: 138.25

名称と別名

(1R)-(+)-cis-Pinane(+)-CIS-PINANEPINANE, CIS-(+)-BICYCLO(3.1.1)HEPTANE, 2,6,6-TRIMETHYL-, (1R,2S,5R)-RefChem:863308(1R,2S)2,2,6Trimethylbicycloheptane(1R(1alpha,2beta,5alpha))2,6,6Trimethylbicyclo(3.1.1)heptane4795-86-2(1R,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptaneBicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel-cis-PinaneFDS697478P

名称をさらに表示

(1R,2R,5R)-ピナン(1R,5R)-2α,6,6-トリメチルビシクロ[3.1.1]ヘプタン(1R)-(+)-CIS-ピナン, IN N-HEXANE (1000ΜG/ML)(1R,2R,5R)-2,6,6-トリメチルビシクロ[3.1.1]ヘプタン(1R,2R,5R)-PinanePINANE, (1R)-(+)-CIS-"(1R,2S,5R)-cis-pinan"(1R)-(+)-CIS-PINANE, TERPENE STANDARD(1R,2S)-2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTANE(1R,5R)-2α,6,6-Trimethylbicyclo[3.1.1]heptane(1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptanePINANE(1S,2S)-2,6,6-TRIMETHYLBICYCLO(3.1.1)HEPTANE[1R-(1alpha,2beta,5alpha)]-2,6,6-trimethylbicyclo[3.1.1]heptane

(1R-(1alpha,2beta,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptane(1R)-cis-PinaneUNII-FDS697478Pcis-(+)-pinaneEINECS 225-352-4SCHEMBL574268SCHEMBL2094621XOKSLPVRUOBDEW-DJLDLDEBSA-N

データベース識別子

CAS: 4795-86-2、6876-13-7
PubChem CID: 10953595
DTXSID: DTXSID601032280
UNII: FDS697478P
EC Number: 225-352-4
Nikkaji: J262.501F

物性

構造計算による物性

XLogP: 3.9
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 146

実験および物理化学的性質

Chemical ClassesBiological Agents -> Wood Dusts & Extracts

Physical Description · 2 件

Liquid

Colorless liquid; [Aldrich MSDS]

物理化学的性質

融点: -53 °C · -53°C
沸点: 168 · 168-169 °C(lit.)
比重(密度): 0.856 g/mL · 0.856 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.463
闪点: 48 °C · 48°C
BRN: 2036204 · 2036204
LogP: 4.686 · 4.686 (est)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 1 件

Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel- 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)

Hazards SummaryMay cause irritation; [Aldrich MSDS] See Pinane.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk: 3
ridadr: UN 2319 3/PG 3
risk_code: 10
safety_code: 16
hazard_class: 3.2
packing_group: III

化学と産業

用途と製造

U.S. Production2023: 75,000 - <500,000 lb

Industry UsesPolymerization promoter

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel-: ACTIVE

上流・下流製品情報

上流原料

(1R,2S,5R)-ピナン (-)-β-ピネン

サプライヤー6 社

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]

化合物ノート

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