3,5-二甲基苯甲醇 | 27129-87-9
中文名称:
3,5-二甲基苯甲醇
英文名称:
3,5-Dimethylbenzyl alcohol
CAS No.:
27129-87-9
分子式:
C9 H1 2 O
分子量:
136.1910
名称和标识符
MDL
MFCD00004648
InChIKey
IQWWTJDRVBWBEL-UHFFFAOYSA-N
Inchi
1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3
SMILES
O([H])C([H])([H])C1C([H])=C(C([H])([H])[H])C([H])=C(C([H])([H])[H])C=1[H]
BRN
2077285
别名信息
- 英文别名 -
(3,5-Dimethylphenyl)methanol
3,5-Dimethylbenzylalcohol
11-Oxy-1.3.5-trimethyl-benzol
3,5-Dimethylbenzenemethanol
3,5-dimethyl-benzylalcohol
3,5-Dimethyl-benzylalkohol
Benzenemethanol,3,5-dimethyl
Benzyl alcohol,3,5-dimethyl
Mesitylalkohol
3,5-DIMETHYLBENZYL ALCOHOL
Benzenemethanol, 3,5-dimethyl-
Benzyl alcohol, 3,5-dimethyl-
IQWWTJDRVBWBEL-UHFFFAOYSA-N
(3,5-dimethylphenyl)methan-1-ol
3,5-Dimethyl benzyl alcohol
Benzenemethanol,3,5-dimethyl-
(3,5-Dimethylphenyl)methanol #
SBB064815
3,5-Dimethyl-1-hydroxymeth
FT-0614691
FT-0614691
J-511356
J-511356
AKOS009157538
AKOS009157538
CS-0153260
CS-0153260
3,5-Dimethylbenzyl alcohol, 98%
3,5-Dimethylbenzyl alcohol, 98%
BCP32520
BCP32520
SY009135
SY009135
7UXP4Z8EX9
7UXP4Z8EX9
SCHEMBL92965
SCHEMBL92965
(3,5-dimethylphenyl)methanol
3,5-Dimethylbenzenemethanol
(3,5-dimethylphenyl)methanol
3,5-Dimethylbenzenemethanol
1-(Hydroxymethyl)-3,5-dimethylbenzene
1-(Hydroxymethyl)-3,5-dimethylbenzene
NS00028258
NS00028258
InChI=1/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H
InChI=1/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H
A818924
A818924
MFCD00004648
MFCD00004648
DTXSID30181593
DTXSID30181593
EN300-1259109
EN300-1259109
3,5-Dimethyl-1-hydroxymethylbenzene
3,5-Dimethyl-1-hydroxymethylbenzene
EINECS 248-241-2
EINECS 248-241-2
3,5-Dimethylbenzenemethanol
3,5-Dimethylbenzylalcohol
3,5-Dimethylbenzenemethanol
3,5-Dimethylbenzylalcohol
AS-18666
AS-18666
27129-87-9
27129-87-9
物化性质
实验特性
LogP
1.79570
PSA
20.23000
折射率
n20/D 1.531(lit.)
沸点
218-221 °C(lit.)
熔点
NA
蒸气压
0.1±0.4 mmHg at 25°C
闪点
华氏:224.6 °F 摄氏:107 °C
颜色与性状
无色液体
溶解性
未确定
密度
0.927 g/mL at 25 °C(lit.)
计算特性
精确分子量
136.08900
氢键供体数量
1
氢键受体数量
1
可旋转化学键数量
1
同位素质量
136.088815
重原子数量
10
复杂度
90.9
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)
1.8
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
20.2
海关数据
海关编码
2906299090
海关数据
中国海关编码:
2906299090
概述:
2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%
相关文献
1.
Iodine-catalyzed disproportionation of aryl-substituted ethers under solvent-free reaction conditions
Marjan Jereb,Dejan Vra?i? Org. Biomol. Chem. 2013 11 1978
2.
Synthesis and thermal decomposition of N,N-dialkoxyamides
Katherine M. Digianantonio,Stephen A. Glover,Jennifer P. Johns,Adam A. Rosser Org. Biomol. Chem. 2011 9 4116
3.
Oxidation reduction reactions involving nitro groups in trifluoromethanesulfonic acid. Part 2. The reactions of chloromethylbenzenes with aromatic nitro Compounds
Rupert P. Austin,John H. Ridd J. Chem. Soc. Perkin Trans. 2 1994 1205
4.
Towards a general ruthenium-catalyzed hydrogenation of secondary and tertiary amides to amines
Jose R. Cabrero-Antonino,Elisabetta Alberico,Kathrin Junge,Henrik Junge,Matthias Beller Chem. Sci. 2016 7 3432
5.
Photoreaction of nitroso-compounds in solution. Part XIV. Reactions of amido-radicals
Y. L. Chow,J. N. S. Tam J. Chem. Soc. C 1970 1138
6.
198. Studies in peroxidase action. Part X. The oxidation of phenols
H. Booth,B. C. Saunders J. Chem. Soc. 1956 940
7.
Preparation of stereocomplex and pseudo-polyrotaxane with various cyclodextrins as wheel components using triblock copolymer of poly(ethylene glycol) and polylactide
JaeYeong Choi,Hiroharu Ajiro Soft Matter 2022 18 8885
8.
Dimeric capsules self-assembled through halogen and chalcogen bonding
Yu-Jie Zhu,Ya Gao,Min-Min Tang,Julius Rebek,Yang Yu Chem. Commun. 2021 57 1543
9.
476. Interdependence of molecular conformation and conjugation in aromatic ethers. Part I
G. Baddeley,N. H. P. Smith,M. A. Vickars J. Chem. Soc. 1956 2455
10.
Experiments on the synthesis of tetracycline. Part XI. Oxidation of ketone acetals and ethers by hydride transfer
D. H. R. Barton,P. D. Magnus,G. Smith,G. Streckert,D. Zurr J. Chem. Soc. Perkin Trans. 1 1972 542
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