기본 정보
- 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 물성
- 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
Liquid
Liquid; [ICSC] Colorless liquid; [MSDSonline]
COLOURLESS LIQUID.
물리화학적 성질
- 녹는점
- -45 °C · -45°C
- 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
안전 및 규제
GHS 분류
GHS Classification
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
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
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
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
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
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
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
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)
화학 및 산업
용도 및 제조
Uses
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
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
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
All Other Chemical Product and Preparation Manufacturing
2-Propenoic acid, hexyl ester: ACTIVE
응용 분야
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.
공급사50 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
湖北宝凌化工科技有限公司13129969326 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
관련 반응
2건
연결된 노트
불러오는 중…