HCID96204

2-Dodecenoic acid

dodec-2-enoic acid

C12H22O2198.3 g/molCAS 4412-16-2

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IDENTITY

结构与身份

标准SMILES: CCCCCCCCCC=CC(=O)O
InChIKey: PAWGRNGPMLVJQH-UHFFFAOYSA-N
分子式: C12H22O2
平均分子量: 198.3 g/mol
单同位素质量: 198.16197994

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 9
重原子: 14
形式电荷: 0
复杂度: 162

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)；Aquatic Chronic 3 (100%)

ALIASES

名称与别名

共 16 条

2-Dodecenoic acidDTXSID80871073CHEBI:38371RefChem:471337DTXCID808187464412-16-22-lauroleic acidC12:1n-10dodecenic acidSCHEMBL248281SCHEMBL501714EAA41216LMFA01030037DB-048221DB-313949NS00047926

REACTIONS

参与反应

1 条

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04224028

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