基本情報
- CAS
30374-01-7- 標準SMILES
CC(C)CCCCCOC(=O)CCS- InChIKey
ZHUWXKIPGGZNJW-UHFFFAOYSA-N- 分子式
- C11H22O2S
- 平均分子量
- 218.36 g/mol
- 単同位体質量
- 218.13405111
名称と識別子
- 優先名称
- Isooctyl 3-mercaptopropionate
- IUPAC
- 6-methylheptyl 3-sulfanylpropanoate
- 現地名
- 3-メルカプトプロパン酸6-メチルヘプチル
- 英語名
- ISOOCTYL 3-MERCAPTOPROPIONATE
- 分子式
- C11H22O2S
- 分子量
- 218.36
名称と別名
Isooctyl 3-mercaptopropionate30374-01-7Propanoic acid, 3-mercapto-, isooctyl esterEINECS 250-157-6EC 250-157-6DTXSID8044911RefChem:792019250-157-66-Methylheptyl 3-mercaptopropanoate6-Methylheptyl 3-sulfanylpropanoate89136-90-36-Methylheptyl 3-mercaptopropionate
名称をさらに表示
3-メルカプトプロパン酸6-メチルヘプチル3-メルカプトプロピオン酸イソオクチル3-メルカプトプロピオン酸6-メチルヘプチルsooctyl 3-mercaptopropionateIsoctyl 3-mercaptopropionateIsooctyl 3-Mercaptopropionate >=99%ISOOCTYL 3-MERCAPTOPROPIONATE IOMP3-mercapto-propanoicaciisooctylester
3-mercaptopropionic acid isooctyl esterMFCD00046846Propanoic acid, 3-mercapto-, 6-methylheptyl esterPropionic acid, 3-mercapto-, 6-methylheptyl esterEINECS 289-472-9GQ2YYL7PUFisooctyl mercaptopropionateDSSTox_CID_24911
データベース識別子
- CAS
30374-01-7、89136-90-3- PubChem CID
- 104386
- DTXSID
DTXSID70274150- ChEMBL
CHEMBL3184500- UNII
- GQ2YYL7PUF
- EC Number
- 250-157-6、289-472-9
- Nikkaji
- J249.969J
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 27.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 9
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 146
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 109 · 109-112 °C2 mm Hg(lit.)
- 比重(密度)
- 0.95 g/mL · 0.950 g/mL at 25 °C(lit.)
- 蒸気圧
- 0.28 · 0.28-0.45Pa at 20-25℃
- 屈折率
- 20 · n20/D 1.458(lit.)
- 闪点
- 14 °F · 14 °F
- 貯蔵温度
- 2 · 2-8°C(protect from light)
- 外見
- Liquid
- InChI
- InChI=1S/C11H22O2S/c1-10(2)6-4-3-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3
- InChIKey
- ZHUWXKIPGGZNJW-UHFFFAOYSA-N
- SMILES
- O(C(=O)CCS)CCCCCC(C)C
- LogP
- 4.62 · 4.62-5.33 at 30℃ and pH6.3
- EPAの化学物質情報
- 3 · Propanoic acid, 3-mercapto-, isooctyl ester (30374-01-7)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H225 (19.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P333+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 200 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Propanoic acid, 3-mercapto-, isooctyl ester
Propanoic acid, 3-mercapto-, isooctyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-mercapto-, isooctyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Isooctyl 3-mercaptopropionate (EC: 250-157-6)
Isooctyl 3-mercaptopropionate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesFlam. Liq. 2 (19.5%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 1
- risk_code
- 11
- hazard_code
- F
- safety_code
- 16-33-7/9
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Flam. Liq. 2Skin Sens. 1
化学と産業
用途と製造
U.S. Production2023: 49,182 lb
Consumer UsesChain transfer agent
Industry UsesChain transfer agent
General Manufacturing Information
Plastics Material and Resin Manufacturing
Propanoic acid, 3-mercapto-, isooctyl ester: ACTIVE
応用分野
使用Polymerization modifier: crosslinking agent, chain transfer agent
サプライヤー1 社
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
関連反応
1 件
化合物ノート
読み込み中…