W524905
双戊烯
mixture of isomers
别名:
(±)-柠檬烯, 对薄荷-1,8-二烯
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关于此项目
经验公式（希尔记法）:
C10H16
化学文摘社编号:
分子量:
136.23
NACRES:
NA.21
Flavis number:
1.001
PubChem Substance ID:
UNSPSC Code:
12164502
EC Number:
205-341-0
MDL number:
Beilstein/REAXYS Number:
3587825
Organoleptic:
citrus
Grade:
Kosher
Biological source:
synthetic
Food allergen:
no known allergens
InChI key
XMGQYMWWDOXHJM-UHFFFAOYSA-N
InChI
1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
SMILES string
CC(=C)C1CCC(C)=CC1
biological source
synthetic
grade
Kosher
vapor density
>4.7 (80 °C, vs air)
vapor pressure
1 mmHg ( 20 °C)
autoignition temp.
458 °F
expl. lim.
0.7-6.1 %, 150 °F
Quality Level
refractive index
n20/D 1.473 (lit.)
bp
170-180 °C (lit.)
density
0.86 g/mL at 20 °C (lit.)
application(s)
flavors and fragrances
documentation
see Safety & Documentation for available documents
food allergen
no known allergens
organoleptic
citrus
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signalword
Warning
hcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
109.4 °F - closed cup
flash_point_c
43 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
Mohammad M Rafiee Fanood et al.
Nature communications, 6, 7511-7511 (2015-06-25)
Simultaneous, enantiomer-specific identification of chiral molecules in multi-component mixtures is extremely challenging. Many established techniques for single-component analysis fail to provide selectivity in multi-component mixtures and lack sensitivity for dilute samples. Here we show how enantiomers may be differentiated by
K Vanommeslaeghe et al.
Journal of chemical information and modeling, 52(12), 3144-3154 (2012-11-14)
Molecular mechanics force fields are widely used in computer-aided drug design for the study of drug-like molecules alone or interacting with biological systems. In simulations involving biological macromolecules, the biological part is typically represented by a specialized biomolecular force field
Keng-Chih Liu et al.
International journal of pharmaceutics, 441(1-2), 687-692 (2012-10-27)
Gap junction protein connexin43 (Cx43) specific antisense oligodeoxynucleotides (AsODN) have been shown to improve a number of inflammatory conditions and may therefore offer a novel strategy for persistent pain management. However, for such molecules to be clinically effective, delivery challenges
Young Woo Kim et al.
Journal of toxicology and environmental health. Part B, Critical reviews, 16(1), 17-38 (2013-04-12)
d-Limonene, a major constituent of citrus oils, is a monoterpene widely used as a flavor/fragrance additive in cosmetics, foods, and industrial solvents as it possesses a pleasant lemon-like odor. d-Limonene has been designated as a chemical with low toxicity based
Johanna Bråred Christensson et al.
Contact dermatitis, 68(4), 214-223 (2013-03-21)
Limonene is a common fragrance terpene that, in its pure form, is not allergenic or is a very weak allergen. However, limonene autoxidizes on air exposure, and the oxidation products can cause contact allergy. Oxidized R-limonene has previously been patch
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