1,4-环己二醇 | 556-48-9
中文名称:
1,4-环己二醇
英文名称:
1,4-Cyclohexanediol (Cis/Trans Mixture)
CAS No.:
556-48-9
分子式:
C6 H1 2 O2
分子量:
116.15828
名称和标识符
MDL
MFCD00001448
InChIKey
VKONPUDBRVKQLM-UHFFFAOYSA-N
Inchi
InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
SMILES
OC1CCC(O)CC1
BRN
2036658
别名信息
- 中文别名 -
1,4-环己二醇
1,4-环己二醇(顺反异构体混合物)
1,4-Cyclohexanediol (cis- and trans- mixture) 1,4-环己二醇(顺反异构体混合物)
1,4-环己二醇(顺反混合) ,AR
1,4-环己二醇, 顺反异构体混合物
1,4-环己二醇,AR
1,4-环己二醇,顺式+反式
1,4-二羟基环己烷
1,4-二羟基环已烷
1,4-环己六醇
1,4-环已二醇
六氢对苯二酚
1,4-二羟基环已烷 (顺反混合物)
对环己二醇 (顺反混合物)
- 英文别名 -
Cyclohexane-1,4-diol
Hexahydrohydroquinone
CHDM
Quinitol
1,4-Cyclohexanediol
1,4-Cyclohexanediol (cis- and trans- mixture)
1,4-Cyclohexanediol(Mixture of Cis and Trans)
1.4-Cyclohexanediol(cis&trans Mixture)
1,4-Dihydroxycyclohexane (cis- and trans- mixture)
Quinitol (cis- and trans- mixture)
J-700165
PB27420
MFCD00063612
DTXSID20871178
AI3-52305
6995-79-5
DTXSID60883614
NSC-5651
SY099933
CHEMBL3948618
AKOS006283462
rac-(1s,4s)-cyclohexane-1,4-diol
EINECS 213-240-8
CS-W005575
NSC-5730
SY040970
(1s,4s)-cyclohexane-1,4-diol
SCHEMBL28182
SCHEMBL102859
1,4-Cyclohexanediol cis+trans
SY001809
1,4-Cyclohexanediol, trans-
SCHEMBL787503
trans-1,4-Cyclohexanediol
trans-1,4-Dihydroxycyclohexane
cis-4-hydroxy-cyclohexanol
931-71-5
Q-200861
FT-0726556
1,4-Cyclohexanediol, 99%
NSC 5730
P10063
EINECS 209-126-2
MFCD00075462
1,4-Cyclohexanediol (Cis/Trans Mixture)
cis-1,4-Dihydroxycyclohexane
Quinitol,c&t
NS00080163
trans-Cyclohexane-1,4-diol
1,4-Cyclohexanediol, (Z)-
C2319
NSC 5651
CS-W007850
NS00042681
(1r,4r)-cyclohexane-1,4-diol
Q16912255
AS-50386
556-48-9
1,4-cyclohexandiol
CIS-CYCLOHEXANE-1,4-DIOL
DTXSID60878843
1,4-Cyclohexanediol, cis + trans
1,4-Cyclohexanediol,c&t
1,4-CYCLOHEXANEDIOL
AKOS006282972
FT-0606824
AI3-06464
1,4-Cyclohexanediol, (E)-
(trans)-cyclohexane-1,4-diol
NSC5730
NSC5651
A830732
C2320
EN300-75448
AKOS015912876
AB02551
71J
1,4-Dihydroxycyclohexane
STR08594
cis-1,4-Cyclohexanediol
CS-0049754
MFCD00001448
Z1178486717
Q-201852
SCHEMBL275681
TD8009
1,4-Cyclohexanediol, cis-
1,4-Cyclohexanediol,mixture of cis and trans
物化性质
实验特性
LogP
0.28220
PSA
40.46000
折射率
1.4270 (estimate)
水溶性
It is highly soluble in water.
沸点
132°C/24mmHg(lit.)
熔点
100.0 to 104.0 deg-C
闪点
华氏:149 °F 摄氏:65 °C
颜色与性状
白色 粉末
敏感性
对湿度敏感
密度
0.9958 (rough estimate)
计算特性
精确分子量
116.08400
氢键供体数量
2
氢键受体数量
2
可旋转化学键数量
0
同位素质量
110.036779
重原子数量
8
复杂度
54.9
同位素原子数量
0
确定原子立构中心数量
0
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)
0.2
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
40.5
海关数据
海关编码
29061900
海关数据
中国海关编码:
29061900
相关文献
1.
Design, synthesis and evaluation of new fluorinated liquid crystals bearing a CF2CF2 fragment with negative dielectric anisotropy
Shigeyuki Yamada,Shohei Hashishita,Tomoyuki Asai,Takashi Ishihara,Tsutomu Konno Org. Biomol. Chem. 2017 15 1495
2.
Relief of steric strain by intramolecular C–H??·?·?·??O interactions: structural evidence for the 1,4-disubstituted cyclohexanes
Thomas Steiner,Wolfram Saenger J. Chem. Soc. Perkin Trans. 2 1998 371
3.
Selective aliphatic carbon–hydrogen bond activation of protected alcohol substrates by cytochrome P450 enzymes
Stephen G. Bell,Justin T. J. Spence,Shenglan Liu,Jonathan H. George,Luet-Lok Wong Org. Biomol. Chem. 2014 12 2479
4.
Competition between hydrogen bonds and halogen bonds: a structural study
Janaka C. Gamekkanda,Abhijeet S. Sinha,John Desper,Marijana ?akovi?,Christer B. Aaker?y New J. Chem. 2018 42 10539
5.
Competition between hydrogen bonds and halogen bonds: a structural study
Janaka C. Gamekkanda,Abhijeet S. Sinha,John Desper,Marijana ?akovi?,Christer B. Aaker?y New J. Chem. 2018 42 10539
6.
Absorption of microwave radiation by solutions. Part 2.—Dielectric relaxation of (a) cyclohexane-1,4-dione and some cyclohexane-1,4-diols and (b) diphenyl and 0,0′-ditolyl sulphides, sulphoxides and sulphones
C. W. N. Cumper,R. F. Rossiter Trans. Faraday Soc. 1969 65 2900
7.
Polymorphism of 1,3-cyclohexanediols: molecular structure and plastic crystal formation of cyclohexanediol isomers
Teresa M. R. Maria,Mário T. S. Rosado,Melodia F. Oliveira,Suse S. Bebiano,Ricardo A. E. Castro,Ewa Juszyńska-Ga??zka,Manuela Ramos Silva,Jo?o Canotilho,M. Ermelinda S. Eusébio CrystEngComm 2019 21 3395
8.
75. Alicyclic glycols. Part II. Derivatives of cyclohexane-1 : 4-diol
L. N. Owen,P. A. Robins J. Chem. Soc. 1949 320
9.
Facile and highly selective monoacylation of symmetric diols adsorbed on silica gel with acetyl chloride
Haruo Ogawa,Misa Amano,Haruo Ogawa,Teiji Chihara Chem. Commun. 1998 495
10.
Rational design and synthesis of a novel laterally-tetrafluorinated tricyclic mesogen with large negative dielectric anisotropy
Shigeyuki Yamada,Ken Tamamoto,Takumi Kida,Tomoyuki Asai,Takashi Ishihara,Tsutomu Konno Org. Biomol. Chem. 2017 15 9442
参考资料
Reaxys RN
2036658
Beilstein
6,741
与1,4-环己二醇相关的问答
二乙酸-1,4-环己二醇酯
1,4-环己二醇的熔点是多少?
「顺-1,4-环己二醇」有哪些品牌?
1,4-环己二醇的沸点是多少?
「顺式-1,4-环己二醇」931-71-5
「1,4-环己二醇,AR」556-48-9
二乙酸-1,4-环己二醇酯的合成路线
「反式-1,4-环己二醇」6995-79-5
「1,4-环己二醇,顺式+反式」有哪些品牌?
「反-1,4-环己二醇」6995-79-5
960化工网为您提供1,4-环己二醇专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:556-48-9,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等