1-(Methylsulphinyl)dodecane

1-(Methylsulfinyl) · Methyl lauryl sulfoxide · Dodecyl methyl sulfoxide · Methyl dodecyl sulfoxide · n-Dodecyl methyl sulfoxide · Methyl n-dodecyl sulfoxide · 1-(Methylsulfinyl)dodecane · 1-(methylsulphinyl)dodecane

https://huagongshe.com/ko/chemical/18319

식별자 및 물리적 특성

CAS No.	3079-30-9
분자식	C13H28OS
평균 분자량	232.43 g/mol
단동위원소 질량	232.18608669 g/mol
SMILES	CCCCCCCCCCCCS(C)=O
InChIKey	CJPDBKNETSCHCH-UHFFFAOYSA-N
PubChem CID	18319
ChEMBL	CHEMBL1782215
EC No.	221-369-6
DTXSID	DTXSID00952994

화학 및 물리적 성질

XLogP	4.9
극성 표면적	36.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	11
무거운 원자 수	15
형식 전하	0
복잡도	145
녹는점	59-63 °C (lit.)
끓는 점	356.1±11.0 °C(Predicted)
밀도	0.920±0.06 g/cm3(Predicted)
저장 조건	Sealed in dry,Room Temperature
물리적 상태	solid
InChI	1S/C13H28OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h3-13H2,1-2H3
InChIKey	CJPDBKNETSCHCH-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCCS(C)=O

안전 및 규제

GHS 분류	Not Classified
Hazard Classes and Categories	Not Classified
수질 위해 등급(WGK)	3
안전 문구(S)	22-24/25
저장 분류	11 - Combustible Solids

용도

Dodecyl methyl sulfoxide can be used as a substitute for dimethyl sulfoxide in Swern oxidation of primary allylic and benzylic alcohols to the corresponding aldehydes and secondary alcohols to the corresponding ketones.

일반 설명

Dodecyl methyl sulfoxide can be synthesized via oxidation of dodecyl methyl sulfide with sodium periodate.