例如：Benzene、DEHP、71-43-2、鄰苯二甲酸酯

化學物列表

結構	名稱與CAS	資料來源
3	N-Hydroxyurethane 589-41-3	3 PubChem SAS分類模型: ToxTree
2	octane; n-octane [1]2,2,4-trimethylpentane [2]2,3,3-trimethylpentane [3]3,3-dimethylhexane [4]2,2,3-trimethylpentane [5]2,3,4-trimethylpentane [6]3,4-dimethylhexane [7]2,3-dimethylhexane [8]2,4-dimethylhexane [9]4-methylheptane [10]3-methylheptane [11]2,2-dimethylhexane [12]2,5-dimethylhexane [13]2-methylheptane [14]2,2,3,3-tetramethylbutane [15]3-ethyl-2-methylpentane [16]3-ethylhexane [17]3-ethyl-3-methylpentane [18]isooctane [19] 589-43-5	2 德國聯邦環境局-對水有害的物質 PubChem + 2 澳洲GHS 紐西蘭GHS
2	octane; n-octane [1]2,2,4-trimethylpentane [2]2,3,3-trimethylpentane [3]3,3-dimethylhexane [4]2,2,3-trimethylpentane [5]2,3,4-trimethylpentane [6]3,4-dimethylhexane [7]2,3-dimethylhexane [8]2,4-dimethylhexane [9]4-methylheptane [10]3-methylheptane [11]2,2-dimethylhexane [12]2,5-dimethylhexane [13]2-methylheptane [14]2,2,3,3-tetramethylbutane [15]3-ethyl-2-methylpentane [16]3-ethylhexane [17]3-ethyl-3-methylpentane [18]isooctane [19] 589-53-7	2 PubChem 澳洲GHS + 2 紐西蘭GHS 德國聯邦環境局-對水有害的物質
3	4-Heptanol 589-55-9	3 PubChem SAS分類模型: ToxTree
3	Butanoic acid, 3-methyl-, 2-methylpropyl ester 589-59-3	3 德國聯邦環境局-對水有害的物質 PubChem + 1 SAS分類模型: ToxTree
U	4-OCTANOL 589-62-8	U PubChem SAS分類模型: ToxTree
3	4-OCTANONE 589-63-9	3 PubChem SAS分類模型: ToxTree
2	octane; n-octane [1]2,2,4-trimethylpentane [2]2,3,3-trimethylpentane [3]3,3-dimethylhexane [4]2,2,3-trimethylpentane [5]2,3,4-trimethylpentane [6]3,4-dimethylhexane [7]2,3-dimethylhexane [8]2,4-dimethylhexane [9]4-methylheptane [10]3-methylheptane [11]2,2-dimethylhexane [12]2,5-dimethylhexane [13]2-methylheptane [14]2,2,3,3-tetramethylbutane [15]3-ethyl-2-methylpentane [16]3-ethylhexane [17]3-ethyl-3-methylpentane [18]isooctane [19] 589-81-1	2 PubChem 澳洲GHS + 2 紐西蘭GHS 德國聯邦環境局-對水有害的物質
3	3-Heptanol 589-82-2	3 紐西蘭GHS PubChem + 1 SAS分類模型: ToxTree
1	1-Bromo-4-iodobenzene 589-87-7	1 PubChem SAS分類模型: ToxTree