아크릴산노르말헥실에스테르

2-프로펜산,헥실에스터 · 아크릴산노르말헥실에스테르 · 헥실2-프로펜산 · 헥실2-프로펜산(HEXYL2-PROPENOATE) · 2-프로펜산, 헥실 에스터 · HEXYL ACRYLATE · ageflexn-ha · 408905-25ML

https://huagongshe.com/ko/chemical/17259

식별자 및 물리적 특성

CAS No.	2499-95-8
분자식	C9H16O2
평균 분자량	156.22 g/mol
단동위원소 질량	156.11502975 g/mol
SMILES	C=CC(=O)OCCCCCC
InChIKey	LNMQRPPRQDGUDR-UHFFFAOYSA-N
PubChem CID	17259
ChEMBL	CHEMBL3561313
EC No.	219-698-5
DTXSID	DTXSID5022194
현지명	아크릴산노르말헥실에스테르

화학 및 물리적 성질

XLogP	3.4
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	7
무거운 원자 수	11
형식 전하	0
복잡도	119
물질 분류	Other Classes -> Esters, Other
SpringerMaterials Properties	Boiling point
LogP(분배 계수)	3.3
밀도	Relative density (water = 1): 0.90.888 g/mL at 25 °C(lit.)
용해도	Solubility in water, g/100ml: 0.04 (very poor)
인화점	68 °C c.c.155 °F
끓는 점	188 °C88-90 °C24 mm Hg(lit.)
녹는점	-45 °C-45°C
증기 밀도	Relative vapor density (air = 1): 5.4
Physical Description	Liquid[ICSC] Colorless liquid[MSDSonline]COLOURLESS LIQUID.
증기압	1.3hPa at 20℃
굴절률	n20/D 1.428(lit.)
저장 조건	2-8°C
물리적 상태	투명한 액체
색상	무색~연황색
용해도	57.4mg/L at 20℃
BRN	1757327
InChI	1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3
InChIKey	LNMQRPPRQDGUDR-UHFFFAOYSA-N
SMILES	CCCCCCOC(=O)C=C
LogP(분배 계수)	4.2 at 40℃
EPA	Hexyl acrylate (2499-95-8)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류	WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
규제 정보	Chemical: 2-Propenoic acid, hexyl ester2-Propenoic acid, hexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, hexyl 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)Status: Active Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25826
화재 위험	Combustible. Above 68 °C explosive vapour/air mixtures may be formed.
유해성 요약	Emergency treatment: IrritantsAcrylic acid esters of lower molecular weight cause skin, eye, and mucous membrane irritation[HSDB] A skin, eye, and respiratory tract irritantThis substance or an additive may cause skin sensitization[ICSC]CombustibleStabilized with hydroquinoneA severe eye irritantMay cause mild skin burns on prolonged contact[MSDSonline]
EC 분류	Symbol: Xi, NR: 36/37/38-43-51/53S: (2)-24-26-37-61
UN 분류	UN Hazard Class: 9UN Pack Group: III
Chemical Dangers	The substance may polymerize. Decomposes on heating. This produces acrid fumes (acrylic acid, acrolein).
Physical Dangers	Vapours are uninhibited and may polymerize in vents or flame arresters, causing blockage.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye irritation - category 2STOT SE 3

용도

일반 설명

Poly(hexyl acrylate-co-1,4-butanediol diacrylate-co-[2-(acryloyloxy)ethyl]trimethyl ammonium chloride) can be prepared by the photopolymeirzation of hexyl acrylate and several other components. These polyacrylate-based monolithics were designed to be used for capillary electrochromatography (CEC). Mutagenicity of this acrylate ester was evaluated by the Salmonella-microsome test.