Methacrolein

식별자 및 물리적 특성

CAS No.	78-85-3
분자식	C4H6O
평균 분자량	70.09 g/mol
단동위원소 질량	70.04186481 g/mol
SMILES	C=C(C)C=O
InChIKey	STNJBCKSHOAVAJ-UHFFFAOYSA-N
PubChem CID	6562
ChEMBL	CHEMBL4063095
ChEBI	CHEBI:88384
EC No.	201-150-1
DTXSID	DTXSID0052540

화학 및 물리적 성질

XLogP	0.7
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	5
형식 전하	0
복잡도	54.7
물질 분류	Other Classes -> AldehydesFlammable agents - 3rd degree
SpringerMaterials Properties	Coriolis coupling
밀도	0.849 @ 25 °C/4 °CRelative density (water = 1): 0.80.830 @ 20°C0.849 g/cm3(Temp: 25 °C)
Viscosity	0.49 mPa.s @ 20 °C0.59 mm²/s at 20 °C
Color/Form	COLORLESS LIQUID
용해도	MISCIBLE WITH WATER, ETHANOL, ETHERWater solubility = 5.9% (59,000 mg/L) at 20 °CSolubility in water, g/100ml at 20 °C: 6 (soluble)
인화점	35 °F (NFPA, 2010)35 °F (2 °C) (OPEN CUP)-15 °C
끓는 점	68.4 °C68 °C
Decomposition	DANGEROUSON DECOMPOSITION, EMITS TOXIC FUMES...
녹는점	-81 °C
증기 밀도	2.4 (AIR= 1)Relative vapor density (air = 1): 2.42
증기압	155.0 [mmHg]155 mm Hg @ 25 °CVapor pressure, kPa at 20 °C: 16120 [mm Hg] @20 °C

안전 및 규제

GHS 분류	DangerH225 (93.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 170 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
규제 정보	Chemical: 2-Propenal, 2-methyl-Status: Active Update: 31-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23318The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
운송 라벨(DOT)	Flammable Liquid Poison
화재 위험	Excerpt from ERG Guide 131 [Flammable Liquids - Toxicpolymerization hazard]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive.
화재 가능성	FIRE HAZARD: DANGEROUS, WHEN EXPOSED TO HEAT, FLAME OR OXIDIZERS. ...CAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS.
건강 유해성	Excerpt from ERG Guide 131 [Flammable Liquids - Toxicpolymerization hazard]:· TOXICmay be fatal if inhaled, ingested or absorbed through skin.
유해성 요약	Like acrolein (VP= 274LC50 (mouse) = 66 ppmLCLo (human) = 5.5 ppm), methacrolein (VP = 154LCLo (mouse) = 125 ppm) is a skin and respiratory tract irritant with the potential to cause acute lung injury[HSDB] Methacrylaldehyde, stabilized (UN2396) has warning of explosive polymerization[ERG 2016]
운송 번호 및 가이드(DOT)	2396 131P