(1R)-( )-α-蒎烯 | 7785-70-8

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中文名称：(1R)-( )-α-蒎烯
英文名称：(1R)-α-Pinene
CAS No.：7785-70-8 分子式：C₁₀H₁₆ 分子量：136.2340
植物源：柑橘细辛山茱萸黄花蒿白芷
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：(1R)-( )-α-蒎烯结构式
价格行情：(1R)-( )-α-蒎烯价格 PubChem CID：24856261
国内供应商

(1R)-( )-α-蒎烯的其他展现形式

相关化合物

石竹烯 Caryophyllene CAS No.：87-44-5

三苯基六氯锑酸碳 Cyclohexene, 5-ethenyl-1,5-dimethyl- CAS No.：1611-21-8

α-蒎烯 alpha-Pinene CAS No.：80-56-8

alpha-柏木烯 alpha-Cedrene CAS No.：469-61-4

(1S)-(-)-α-蒎烯 (1S)-(-)-Alpha-Pinene CAS No.：7785-26-4

g-Caryophyllene CAS No.：123938-16-9

简介

(1R)-α-Pinene 是具有抗菌活性的挥发性单萜。(1R)-α-Pinene 减少蜡状芽孢杆菌种群的增长，并表现出驱蚊作用。

名称和标识符

MDL	MFCD00001346
InChIKey	GRWFGVWFFZKLTI-RKDXNWHRSA-N
Inchi	1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
SMILES	C1(C([H])([H])[H])(C([H])([H])[H])[C@@]2([H])C(C([H])([H])[H])=C([H])C([H])([H])[C@]1([H])C2([H])[H]
BRN	3648264

别名信息

- 中文别名 -

(1R)-( )-α-蒎烯 ( )-α-蒎烯 (1R)-(+)-α蒎烯 (1R)-(+)-alpha-蒎烯 (1R)-(+)-α-蒎烯 (-)-α-蒎烯 (+)-a-蒎烯 (+)-α-蒎烯 (1R)-(+)-alpha-Pinene (1R)-(+)-α-蒎烯 α-蒎烯 α-蒎烯右旋蒎烯蒎烯右旋α-蒎烯 (1R,5R)-2-蒎烯 (1R,5R)-2,6,6-三甲双环[3.1.1]庚-2-烯 (1R)-2,6,6-三甲基二环[3.3.1]庚-2-烯

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- 英文别名 -

(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene (ir)-(+)-A-pinene (+)-alpha-Pinene (+)-(1R,5R)-alpha-pinene (+)-(1R,5R)-α-pinene (+)-α-Pinene (1R)-(+)-ALPHA-PINENE (1R)-(+)-α-Pinene (1R)-(+)-α-Pinene (9 ALPHA-PINENE PINENE, (1R)-(+)-alpha-(AS) (+)-pin-2(3)-ene (R)-α-Pinene 1R-(+)-α-Pinene 1R-α-Pinene 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene-, (1R,5R)- Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)- Dextro-alpha-pinene d-α-Pinene α-Pinene(dextro) α-Pinene, (D)- (1R)-(+)-a-pinene (1R)-(+)-pin-2-ene (1R,5R)-alpha-pinene H6CM4TWH1W (1R,5R)-2-Pinene (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- alpha-Pinene(dextro) 1R-(+)-a-pinene (1S)-(-)-alpha-Pinene alph (1R)-α-Pinene (1r)-(+)-alpha-pinene (+)-alpha-pinene (1R)-(+)-α-pinene

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物化性质

实验特性

LogP	4.83 (LogP)
PSA	0
Merck	7445
折射率	n20/D 1.465(lit.)
水溶性	Soluble in Ether, Alcohols, Chloroform. Not miscible in water.
沸点	155-156 °C(lit.)
熔点	−62 °C (lit.)
闪点	华氏：91.4 °F 摄氏：33 °C
溶解度	4.071 mg/L @ 25 °C (est)
颜色与性状	未确定
光学活性	[α]21/D +50.7°, neat
密度	0.858 g/mL at 20 °C(lit.)

计算特性

精确分子量	136.12528
氢键供体数量	0
氢键受体数量	0
可旋转化学键数量	0
同位素质量	136.125200510 g/mol
重原子数量	10
复杂度	186
同位素原子数量	0
确定原子立构中心数量	2
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	2.8
互变异构体数量	无
表面电荷	0
拓扑分子极性表面积	0
分子量	136.23

安全信息纠错

符号：	GHS02 GHS07
RTECS号	DT7000000
WGK Germany	3
安全术语	S16;S23
安全说明	26-36
包装类别	III
风险术语	R10;R36/37/38
危险品标志	Xi
危险品运输编号	UN 2368 3 / PGIII
危害声明	H226,H315,H319,H335
警示性声明	P261,P305+P351+P338
提示语	警告
储存条件	2-8°C
PackingGroup	III
危险类别码	10-36/37/38
信号词	Warning
TSCA	Yes
爆炸极限值(explosive limit)	0.8-6%(V)
HazardClass	3
FLUKA BRAND F CODES	10

国际标准相关数据

EINECS

232-087-8

生产方法和用途

用途	药品/化学原料药和中间体，如制备原料药孟鲁司特钠（顺尔宁）以及恩替卡韦的中间体；该产品是光学拆分剂，还可应用于其他领域。

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Oreste Tarallo,Vittorio Petraccone,Christophe Daniel,Gianluca Fasano,Paola Rizzo,Gaetano Guerra J. Mater. Chem. 2012 22 11672

3. Validation of diffusive mini-samplers for aldehyde and VOC and its feasibility for measuring the exposure levels of elementary school children
Atsuko Araki,Tazuru Tsuboi,Toshio Kawai,Yu Ait Bamai,Tomoya Takeda,Eiji Yoshioka,Reiko Kishi J. Environ. Monit. 2012 14 368

4. Analytical methodologies for oxidized organic compounds in the atmosphere
Aleksi Tiusanen,Jose Ruiz-Jimenez,Kari Hartonen,Susanne K. Wiedmer Environ. Sci.: Processes Impacts 2023 25 1263

5. The electrochemical discrimination of pinene enantiomers by a cyclodextrin metal–organic framework
Cheng-Hua Deng,Tao Li,Jing-Huo Chen,Jian-Gong Ma,Peng Cheng Dalton Trans. 2017 46 6830

6. Validation of evacuated canisters for sampling volatile organic compounds in healthcare settings
Ryan F. LeBouf,Aleksandr B. Stefaniak,M. Abbas Virji J. Environ. Monit. 2012 14 977

7. Airborne observations of vegetation and implications for biogenic emission characterization
Amy K. Hawes,Susan Solomon,Robert W. Portmann,John S. Daniel,Andrew O. Langford,H. LeRoy Miller,Charles S. Eubank,Paul Goldan,Christine Wiedinmyer,Elliot Atlas,Armin Hansel,Armin Wisthaler J. Environ. Monit. 2003 5 977

8. The impact of nitrogen gas flushing on the stability of seasonings: volatile compounds and sensory perception of cheese & onion seasoned potato crisps
Deepa Agarwal,Lim Mui,Emma Aldridge,Richard Mottram,James McKinney,Ian D. Fisk Food Funct. 2018 9 4730

9. The effect of sub-zero temperature on the formation and composition of secondary organic aerosol from ozonolysis of alpha-pinene
K. Kristensen,L. N. Jensen,M. Glasius,M. Bilde, Environ. Sci.: Processes Impacts 2017 19 1220

10. The pinene scaffold: its occurrence, chemistry, synthetic utility, and pharmacological importance
Rogers J. Nyamwihura,Ifedayo Victor Ogungbe RSC Adv. 2022 12 11346

专业数据库参考

PubChemId

24856261

参考资料

Reaxys RN	13246646
Beilstein	2038653