基本描述

别名	正辛烷
英文别名	octane \| OCTANE [MI] \| n-C8H18 \| O0151 \| Octane, all isomers \| LMFA11000002 \| OTTANE \| Octane; NSC 9822; n-Octane \| Octil \| FT-0696530 \| OCTANE [INCI] \| Oktan \| Normal octane \| Ottani [Italian] \| Q150681 \| DTXCID406882 \| InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-
规格或纯度	电子级, ≥99%,≥99.999% metals basis
英文名称	Octane
纯度	≥99%,≥99.999% metals basis

关联靶点（其它种属）

Rattus norvegicus (775804 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Bursaphelenchus xylophilus (372 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

EC号	203-892-1
分子类型	小分子
IIUPAC Name	octane
INCHI	1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChi Key	TVMXDCGIABBOFY-UHFFFAOYSA-N
Smiles	CCCCCCCC
Isomeric SMILES	CCCCCCCC
UN Number	1262
Packing Group	II
分子量	114.23
Beilstein号	1696875
Reaxy-Rn	1696875
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696875&ln=

化学和物理性质

密度	0.703g/mLat 25°C (lit.)
折光率	1.397
闪点(℉)	55.4 °F
闪点(℃)	14°C
沸点	125°C
熔点	-57°C(lit.)
分子量	114.230 g/mol
XLogP3	3.900
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	0
可旋转键计数Rotatable Bond Count	5
精确质量Exact Mass	114.141 Da
单同位素质量Monoisotopic Mass	114.141 Da
拓扑极表面积Topological Polar Surface Area	0.000 Å²
重原子数Heavy Atom Count	8
形式电荷Formal Charge	0
复杂度Complexity	25.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

一般危化品	一般危化品
象形图	GHS02, GHS07, GHS08, GHS09
信号词	危险
危险声明	H225: 高度易燃的液体和蒸气 H302: 吞食有害 H304: 吞咽并进入呼吸道可能致命 H312: 皮肤接触有害 H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H336: 可能引起嗜睡或头晕 H400: 对水生生物有剧毒 H410: 对水生生物有剧毒并具有长期持续影响
预防措施声明	P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。 P233: 保持容器密闭。 P240: 地面/粘结容器和接收设备 P241: 使用防爆的[电气/通风/照明/.../]设备。 P242: 仅使用无火花的工具。 P243: 采取防静电措施 P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P264: 处理后要彻底洗手。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P271: 仅在室外或通风良好的地方使用。 P273: 避免释放到环境中。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P321: 特殊处理（请参阅此标签上的...）。 P330: 漱口 P331: 不要催吐 P391: 收集溢出物 P302+P352: 如皮肤沾染：用水充分清洗。 P303+P361+P353: 如皮肤（或头发）沾染：立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。 P405: 密闭存放 P403+P233: 存放在通风良好的地方。保持容器密闭。 P403+P235: 存放在通风良好的地方。保持低温。 P501: 将内容物/容器处理到。。。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P301+P316: 如果吞咽：立即寻求紧急医疗救助。 P301+P317: 如果被吞咽：请寻求医疗帮助。 P317: 寻求紧急医疗救助。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。 P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany	2
RTECS	RG8400000
Class	3
Merck Index	6749
个人防护装备	Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

质检证书（CoA,COO,BSE/TSE 和分析图谱)

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此产品的引用文献

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引用文献

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