基本描述

别名	香叶烯
英文别名	2-Methyl-6-methylene-2,7-octadiene \| b-Myrcene \| 3-Methylene-7-methyl-1, 6-octadiene \| 7-Methyl-3-methylene-octa-1,6-diene \| 7-Methyl-3-methyleneocta-1,6-diene \| beta-geraniolene \| Myrcene analytical standard \| CAS-123-35-3 \| FT-0672572 \| InChI=1/C10H16/c
规格或纯度	≥90%(GC)
英文名称	Myrcene
储存温度	2-8°C储存,充氩
运输条件	冰袋运输
产品介绍	不溶于水。溶于乙醇、乙醚、氯仿。能与大多数其它香料混合。具有令人愉快的甜香脂气味。烃类合成香料。主要用于古龙香水和消臭剂。也是合成萜烯类合成香料的重要原料。 β-Myrcene is found in oil of bay, verbena and hop and used as an intermediate in the manufacturing of perfume chemicals. An intermediate in the manufacturing of perfume chemicals.
纯度	≥90%(GC)

关联靶点（人）

NR3C1 Tclin Glucocorticoid receptor (14987 活性数据)

点击查看靶蛋白信息： NR3C1

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 活性数据)

点击查看靶蛋白信息： TSHR

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

NR1H4 Tclin Bile acid receptor FXR (6228 活性数据)

点击查看靶蛋白信息： NR1H4

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

关联靶点（其它种属）

Staphylococcus aureus (210822 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

Spodoptera littoralis (798 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

Tetranychus urticae (2600 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

lef Anthrax lethal factor (7585 活性数据)

点击查看靶蛋白信息： lef

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

Leptinotarsa decemlineata (1161 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

Psoroptes ovis (78 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

Tribolium castaneum (596 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

Theba pisana (23 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	204-622-5
分子类型	小分子
IIUPAC Name	7-methyl-3-methylideneocta-1,6-diene
INCHI	1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
InChi Key	UAHWPYUMFXYFJY-UHFFFAOYSA-N
Smiles	CC(=CCCC(=C)C=C)C
Isomeric SMILES	CC(=CCCC(=C)C=C)C
UN Number	2319
Packing Group	III
分子量	136.23
Beilstein号	1719990
Reaxy-Rn	1719990
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719990&ln=

化学和物理性质

密度	0.791
敏感性	对热和空气敏感
折光率	1.469
闪点(℉)	111.2 °F
闪点(℃)	44 °C
沸点	165°C
分子量	136.230 g/mol
XLogP3	4.300
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	4
精确质量Exact Mass	136.125 Da
单同位素质量Monoisotopic Mass	136.125 Da
拓扑极表面积Topological Polar Surface Area	0.000 Å²
重原子数Heavy Atom Count	10
形式电荷Formal Charge	0
复杂度Complexity	145.000
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）

象形图	GHS02, GHS07, GHS08
信号词	危险
危险声明	H226: 易燃液体和蒸气 H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H351: 怀疑引起遗传缺陷 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 P264: 处理后要彻底洗手。 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...）。 P331: 不要催吐 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。 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+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。 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。
WGK Germany	2
RTECS	RG5365000
Class	3
Merck Index	6331
个人防护装备	Eyeshields,Faceshields,full-face respirator (US),Gloves,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

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引用文献

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45. Yanlei Li, Zhiming Gao, Jian Guo, Jinmei Wang, Xiaoquan Yang. (2022) Modulating aroma release of flavour oil emulsion based on mucoadhesive property of tannic acid. FOOD CHEMISTRY, 388 (132970). [PMID:35483281] [10.1016/j.foodchem.2022.132970]
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溶液计算器

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