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아크릴산노르말헥실에스테르

Hexyl acrylate

HCID 17259
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2499-95-8
표준 SMILES
C=CC(=O)OCCCCCC
InChIKey
LNMQRPPRQDGUDR-UHFFFAOYSA-N
분자식
C9H16O2
평균 분자량
156.22 g/mol
단동위원소 질량
156.11502975

이름 및 식별자

우선 이름
Hexyl acrylate
IUPAC
hexyl prop-2-enoate
현지명
아크릴산노르말헥실에스테르
영어명
N-HEXYL ACRYLATE
분자식
C9H16O2
분자량
156.22

이름 및 동의어

Hexyl acrylate2499-95-8n-Hexyl acrylate2-PROPENOIC ACID, HEXYL ESTERAgeflex n-HAHexyl 2-propenoateAcrylic acid, hexyl esterDTXSID5022194NSC-11786X0670P452ADTXCID702194RefChem:146331
이름 더 보기
2-프로펜산,헥실에스터아크릴산노르말헥실에스테르헥실2-프로펜산헥실2-프로펜산(HEXYL2-PROPENOATE)2-프로펜산, 헥실 에스터ageflexn-ha408905-25MLAgeflex FA-6hexyl2-propenoateAcrylic acid hexyl
219-698-5hexyl prop-2-enoaten-HexylacrylateAcrylic Acid Hexyl EsterMFCD00048881NSC 11786ALLYLN-HEXYLETHERCCRIS 7038

데이터베이스 식별자

CAS
2499-95-8
PubChem CID
17259
DTXSID
DTXSID5022194
ChEMBL
CHEMBL3561313
UNII
X0670P452A
EC Number
219-698-5
Nikkaji
J33.800A

물성

구조 계산 물성보충 중

XLogP
3.4
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
7
무거운 원자 수
11
형식 전하
0
복잡도
119

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesBoiling point
LogP3.3
DensityRelative density (water = 1): 0.9
SolubilitySolubility in water, g/100ml: 0.04 (very poor)
Flash Point68 °C c.c.
Boiling Point188 °C
Melting Point-45 °C
Vapor DensityRelative vapor density (air = 1): 5.4
Physical Description · 3건

Liquid

Liquid; [ICSC] Colorless liquid; [MSDSonline]

COLOURLESS LIQUID.

물리화학적 성질

녹는점
-45 °C · -45°C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Warning

H315: 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)

Warning

H315 (100%): 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)

유해성 정보

Regulatory Information · 3건

Chemical: 2-Propenoic acid, hexyl ester

2-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

Fire HazardsCombustible. Above 68 °C explosive vapour/air mixtures may be formed.
Hazards Summary · 1건

Emergency treatment: Irritants; Acrylic acid esters of lower molecular weight cause skin, eye, and mucous membrane irritation; [HSDB] A skin, eye, and respiratory tract irritant; This substance or an additive may cause skin sensitization; [ICSC]; Combustible; Stabilized with hydroquinone; A severe eye irritant; May cause mild skin burns on prolonged contact; [MSDSonline]

EC ClassificationSymbol: Xi, N; R: 36/37/38-43-51/53; S: (2)-24-26-37-61
UN ClassificationUN Hazard Class: 9; UN Pack Group: III

화학 및 산업

용도 및 제조

Uses · 3건

Used as a comonomer in polymers for adhesives and as a reactive diluent (viscosity index improver); [HSDB]

COMONOMER, EG, FOR POLYMERS USED IN ADHESIVES

REACTIVE DILUENT FOR USE AS A VISCOSITY INDEX IMPROVER

U.S. Exports · 2건

(1979) No Data

(1981) No Data

U.S. Imports · 2건

(1979) No Data

(1981) No Data

U.S. Production · 3건

2023: 75,000 - <500,000 lb

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Industry UsesMonomers
Methods of ManufacturingTRANSESTERIFICATION OR ESTERIFICATION OF N-HEXYL ALCOHOL WITH EITHER METHYL ACRYLATE OR ACRYLIC ACID
General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

2-Propenoic acid, hexyl ester: ACTIVE

응용 분야 · 1건

일반 설명Poly(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.

관련 반응

2건
반응 기록 만들기
HRID 573472 반응식
HRID 573472반응물로uspto-grants-2015_05
HRID 1224081 반응식
HRID 1224081생성물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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끓는 점
88 · 88-90 °C24 mm Hg(lit.)
밀도
0.888 g/mL · 0.888 g/mL at 25 °C(lit.)
증기압
1.3 hPa · 1.3hPa at 20℃
굴절률
20 · n20/D 1.428(lit.)
인화점
155 °F · 155 °F
저장 조건
2 · 2-8°C
물리적 상태
투명한 액체
색상
무색~연황색
수용성
57.4 mg/L · 57.4mg/L at 20℃
BRN
1757327 · 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
4.2 at · 4.2 at 40℃
EPA
Hexyl acrylate (2499-95-8)

화학적 성질

clear colorless liquid

Chemical DangersThe substance may polymerize. Decomposes on heating. This produces acrid fumes (acrylic acid, acrolein).
Physical DangersVapours are uninhibited and may polymerize in vents or flame arresters, causing blockage.
Hazard Classes and Categories · 3건

Skin Irrit. 2 (100%)

Eye irritation - category 2

STOT SE 3

Explosive Limits and PotentialExplosive limits , vol% in air: 0.9-?

안전 및 보호

Fire FightingUse dry powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures · 4건

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth. Give one or two glasses of water to drink. Rest. Seek medical attention if you feel unwell.

Safe StorageStore only if stabilized. Cool. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.
Spillage Disposal · 1건

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking liquid in covered containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Preventive MeasuresADEQUATE EXHAUST VENTILATION SHOULD BE PROVIDED TO PROTECT THE WORKER FROM INHALATION OF FUMES. WORKERS SHOULD BE PROVIDED WITH HAND PROTECTION & EYE & FACE PROTECTION. MAINTENANCE & GOOD HOUSEKEEPING SHOULD BE ENSURED. /ACRYLIC RESINS/
Eye PreventionWear safety spectacles or eye protection in combination with breathing protection.
Fire PreventionNO open flames. Above 68 °C use a closed system and ventilation.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation, local exhaust or breathing protection.
Effects of Long Term ExposureRepeated or prolonged contact may cause skin sensitization.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol.
Signs and Symptoms · 4건

Cough. Sore throat.

Redness. Pain.

Redness.

Sore throat.

ICSC Environmental DataThe substance is toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.
Human Toxicity ExcerptsTHE LOWER-MOLECULAR-WT ESTERS OF ACRYLIC ACIDS ARE IRRITANTS TO SKIN, EYES, & MUCOUS MEMBRANES. /ESTERS OF ACRYLIC ACID/

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
AT1450000
ridadr
3082
독성
rabbit,LD50,skin,5660uL/kg (5.66mL/kg),American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
HS 번호
29161290
risk_code
36/37/38-43-51/53
hazard_code
Xi,N
safety_code
24-26-37-61
포장분류
III
위험 등급
9
기존화학 물질
KE-29560
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1BSTOT SE 3
스토리지 클래스
10 - Combustible liquids
유해 물질 데이터
2499-95-8(Hazardous Substances Data)