메탄술폰산메틸에스테르

메탄술폰산메틸에스테르 · 메틸메테인설폰산염 · 메틸메테인설포네이트 · 메틸 메테인설포네이트 · MMS · Methyl mesylate · Methanesulphonic acid methyl ester · CB 1540

https://huagongshe.com/ko/chemical/4156

식별자 및 물리적 특성

CAS No.	66-27-3
분자식	C2H6O3S
평균 분자량	110.13 g/mol
단동위원소 질량	110.00376505 g/mol
SMILES	COS(C)(=O)=O
InChIKey	MBABOKRGFJTBAE-UHFFFAOYSA-N
PubChem CID	4156
ChEMBL	CHEMBL313493
ChEBI	CHEBI:25255
EC No.	200-625-0
DTXSID	DTXSID7020845
현지명	메탄술폰산메틸에스테르

화학 및 물리적 성질

XLogP	-0.4
극성 표면적	51.8
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	6
형식 전하	0
복잡도	105
물질 분류	Other Classes -> Sulfur Compounds
SpringerMaterials Properties	Chemical shift
밀도	1.2943 at 68 °F (NTP, 1992) - Denser than waterwill sink1.2943 at 20 °C/4 °C1.3 g/mL at 25 °C(lit.)
Color/Form	Colorless liquid
용해도	greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)Solubility in water about 1:5slightly sol in nonpolar solventsSol in dimethyl formamide and in propylene glycol (1 in 1)200g/L
인화점	220 °F (NTP, 1992)
끓는 점	396 to 397 °F at 760 mmHg (NTP, 1992)203 °C at 753 mm Hg202-203 °C(lit.)
녹는점	68 °F (NTP, 1992)20 °C20°C
증기압	0.31 [mmHg]0.8 hPa (59 °C)
굴절률	Index of refraction 1.4140 at 20 °C/Dn20/D 1.414(lit.)
Physical Description	Methyl methanesulfonate is a colorless to amber liquid. (NTP, 1992)Colorless liquidmp = 20 deg C[HSDB] Colorless to amber liquid[CAMEO] Clear faintly yellow liquid[MSDSonline]
Other Experimental Properties	... decompose on distillation at normal pressure ... darken when stored in the absence of light ... form hydrates, are hygroscopic, and dissolve readily in water /Alkanesulfonic acids/
저장 조건	Store below +30°C.
물리적 상태	액체
색상	무색~담황색
용해도	200g/L(20℃)
Merck	14,6097
BRN	1098586
헨리 상수	2.5×100 mol/(m3Pa) at 25℃, HSDB (2015)
안정성	안정적인. 타기 쉬운. 강한 산화제, 강산, 강염기와 호환되지 않습니다.
InChI	1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3
InChIKey	MBABOKRGFJTBAE-UHFFFAOYSA-N
SMILES	COS(C)(=O)=O
NIST	Methanesulfonic acid, methyl ester(66-27-3)
EPA	Methyl methanesulfonate (66-27-3)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류	DangerH301 (99.5%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 221 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H301: Toxic if swallowed [Danger Acute toxicity, oral]
규제 정보	Chemical: Methanesulfonic acid, methyl esterHazard Traits - CarcinogenicityStatus: Active Update: 30-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17543Methyl methanesulphonate: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Methanesulfonic acid, methyl ester: Human health tier I assessment
운송 라벨(DOT)	Corrosive Poison
화재 위험	This chemical is combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound may include irritation of the eyes, skin, mucous membranes, nose and respiratory tract. It can cause dermatitis and nausea. Large doses ingested over nearly a year produced gastrointestinal and hepatic toxic effects.
유해성 요약	At a dose of 2.8-800 mg/kg body weight for up to 350 days, side effects in cancer patients included gastrointestinal and liver injury[HSDB] Embryotoxic at 100 mg/kg in ratsNo human data[REPROTOX] May cause skin, eye, mucous membrane, and respiratory tract irritation[CAMEO] An irritant[MSDSonline]
반응성 그룹	Sulfonates, Phosphonates, and Thiophosphonates, Organic
Special Reports	National Toxicology Program. Eleventh Report on Carcinogens (2005). The Report on Carcinogens is an informational scientific and public health document that identifies and discusses substances (including agents, mixtures, or exposure circumstances) that may pose a carcinogenic hazard to human health. Methyl Methanesulfonate (66-27-3) is listed as reasonably anticipated to be a human carcinogen.[Available from, as of July 31, 2009: http://ntp.niehs.nih.gov/ntp/roc/eleventh/profiles/s110meme.pdf]

용도

Methyl methanesulfonate is a DNA adduct that adds methyl groups to Dan at 7-guanine, 3-guanine and 3-adenine.

일반 설명

Colorless to amber liquid.