缬草醛

缬草醛 基本信息
CAS号 18234-46-3 分子式 C12H10O4
分子量 218.20500 精确质量  218.05800
PSA  56.51000 LogP  2.26000

基本信息 展开↓

CAS号:
18234-46-3
3D弹球模型:
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分子式:
C12H10O4
分子量:
218.20500
中文名称:
缬草醛
英文名称:
baldrinal
中文别名:
缬草醛;
缬草素分解物;
Diisopropyldimethoxysilane;
1,3,5-Tris(Bromomethyl)Benzene;
1-(2-Chloroethyl)-4-methoxybenzene;
1-amino-2,2-dimethylpropan-1-iminium;
1,2-Dimyristoyl-Sn-Glycero-3-Phosphocholine;
1,2-dimyristoyl-sn-glycero-3-phospho-choline monohydrate;
1-methylethyl 4-bromo-α-(4-bromophenyl)-α-hydroxybenzeneacetate;
propan-2-yl bis(4-bromophenyl)(hydroxy)acetate;
Bromopropylate;
3-chloropropyl methyl dimethoxyl silane;
γ-chloropropylmethylbimethoxy silane;
1,3-bis(4-methoxyphenyl)propane-1,3-dionato;
(3-chloropropyl)dimethoxymethyl-Silane;
(4-chloro-1,1-dimethoxybutyl)silane;
γ-Chloropropyl methyldimethoxy silane;
γ-Chloropropylmethyldimethoxysilane;
trans-Zearalenone;
(S-(E))-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione;
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S,11E)-;
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (S)-(-)-;
(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-ben
英文别名:
baldrinal;
11-Acetoxyvibrutinal
精确分子量/精确质量:
218.05800
极性分子表面积/PSA:
56.51000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3

物化性质展开↓

密度:
1.29g/cm3
沸点:
451.4ºC at 760mmHg
闪点:
206.2ºC
折射率:
1.579
蒸汽压:
2.44E-08mmHg at 25°C

安全信息展开↓

海关代码:
2932999099

合成路线查看所有的合成路线

  • 18296-44-1

    戊曲酯

  • 18234-46-3

    缬草醛

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GY5825000
CHEMICAL NAME :
Cyclopenta(c)pyran-7-carboxaldehyde, 4-(hydroxymethyl)-, acetate
CAS REGISTRY NUMBER :
18234-46-3
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C12-H10-O4
MOLECULAR WEIGHT :
218.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
465 mg/kg
TOXIC EFFECTS :
Behavioral - antipsychotic

MUTATION DATA

TYPE OF TEST :
DNA repair
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
100 nmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 169,23,1986

海关数据查看详细

中国海关编码:2932999099

概述:
2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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  • 18296-44-1

    戊曲酯

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