Access a free database of hazardous reaction information from global academic, industry, and government institutions to enhance chemical safety in your laboratory.
The CAS Chemical Safety Library is a repository for the scientific community to capture and confidentially share hazardous reaction information from real-world laboratory experiences to reduce and prevent incidents. Information in the library is publicly available and uploaded to PubChem.
The repository is overseen by an advisory panel made up of experts from CAS, ACS, and academic, industry, and non-profit organizations worldwide.
Prior to September 1, 2023, the Chemical Safety Library was created and maintained by Pistoia Alliance.
The use of dangerous chemicals in the laboratory can lead to major risks. To prevent related disasters, hazardous reaction incident information must be shared across the global research community. With the CAS Chemical Safety Library:
Learn about hazardous reaction information before you head to the laboratory. Search by CAS Registry Number®, chemical name, SMILES, and more.
Help make the library even more valuable to other researchers by submitting your hazardous reaction incident information.
Integrate hazardous reaction information from the library with your internal workflows and knowledge bases.
Mark Manfredi（百时美施贵宝公司）在 ACS 2016 年秋季会议上发表了题为“确保经验教训不被遗忘，利用 ELN 转变安全范式”的演讲，启发了建立一个简单的、由众人参与的危险反应数据收集系统的想法。在 Ramesh Durvasula（礼来公司）的进一步倡导下，皮斯托亚联盟牵头开发了化学安全资料库。
来自百时美施贵宝公司的危险反应信息被添加到皮斯托亚联盟的化学安全资料库中，然后该资料库通过数据马拉松、黑客马拉松以及从 C&EN Safety Letters 和其他来源提取数据等方式进行了扩展。
简化的提交系统使皮斯托亚联盟化学安全资料库的记录达到了 138 条。数据通过 .csv格式文件向用户提供，并且整个资料库与 PubChem（美国国家医学图书馆）共享。
CAS 开始托管皮斯托亚联盟的化学安全资料库，并成立了顾问小组，由 Carmen Nitsche（剑桥晶体数据中心）和 Mark Manfredi (C&EN Safety Letters) 担任主席，以推动未来发展。我们还与校园安全、健康和环境管理协会 (CSHEMA) 建立了战略合作伙伴关系，并将影响力扩展到学术界。通过与普渡大学和明尼苏达大学的数据挖掘项目，我们开发了一个可重复使用的数据收集协议 (Chemical Safety Library in a Box)。
加州大学洛杉矶分校部署了 Chemical Safety Library in a Box，并在 CSHEMA 安全周上进行了推广。在 3 月，ACS Spring 2024 举办了一场数据马拉松，以扩大信息收集。该资源在所有权从皮斯托亚联盟转移到 CAS 后，正式更名为“CAS 化学安全资料库”。如今，CAS 化学安全资料库包含超过 500 条记录。
The CAS Chemical Safety Library is overseen by an advisory panel of experts from CAS and others in the commercial, academic, and non-profit sectors.
For questions about the CAS Chemical Safety Library, email csladvisorypanel@cas.org.
