4-氧代-维A酸

4-氧代-维A酸 基本信息
CAS号 38030-57-8 分子式 C20H26O3
分子量 314.41900 精确质量 　314.18800
PSA 　54.37000 LogP 　4.78160
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等价的CAS号：

38030-57-8,71748-58-8,100897-08-3,112924-95-5,150737-18-1,150737-19-2
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
38030-57-8
3D弹球模型：
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分子式：
C20H26O3
分子量：
314.41900
中文名称：
4-氧代-维A酸
英文名称：
all-trans-4-oxoretinoic acid
中文别名：
4-氧代-维A酸;
4-氧代-全反式维甲酸;
3,7-二甲基-9-(4-氧代-2,6,6-三甲基环己烯)-2,4,6,8-全反式壬四烯酸;
4-氧代-视黄酸;
维A酸-4-酮
英文别名：
all-trans-4-oxoretinoic acid;
4-keto-Retinoic Acid;
4-oxo-all-rans-retinoic acid;
4-Oxoretinoic Acid;
all-trans-4-Oxoretinoic Acid;
4-oxo-all-trans-retinoic acid;
all-trans 4-Keto Retinoic Acid;
4-oxo-Retinoic acid;
4-Ketoretinoic Acid;
4-Oxo-atRA;
4-Oxotretinoin
精确分子量/精确质量：
314.18800
极性分子表面积/PSA：
54.37000
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：
The Key: GGCUJPCCTQNTJF-FRCNGJHJSA-N

物化性质展开↓

密度：
1.07g/cm3
熔点：
175-178°C (分解)
沸点：
509.9ºC at 760 mmHg
闪点：
276.3ºC
折射率：
1.565

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VH6599800
CHEMICAL NAME :
Retinoic acid, 4-oxo-
CAS REGISTRY NUMBER :
38030-57-8
LAST UPDATED :
199007
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C20-H26-O3
MOLECULAR WEIGHT :
314.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
100 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 35,33A,1987
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
10 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 100,162,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
20 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 95,122,1988
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
39 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 95,122,1988
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4900 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 95,122,1988

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