Hexyl acrylate (HCID 17259)

名称と識別子

優先名称: Hexyl acrylate
IUPAC: hexyl prop-2-enoate
現地名: アクリル酸ヘキシル
英語名: N-HEXYL ACRYLATE
分子式: C9H16O2
分子量: 156.22

名称と別名

Hexyl acrylate2499-95-8n-Hexyl acrylate2-PROPENOIC ACID, HEXYL ESTERAgeflex n-HAHexyl 2-propenoateAcrylic acid, hexyl esterDTXSID5022194NSC-11786X0670P452ADTXCID702194RefChem:146331

名称をさらに表示

アクリル酸ヘキシルアゲフレックスn-HAヘキシルアクリラートプロペン酸ヘキシルアクリル酸N-ヘキシル, 95%, STAB. WITH HYDROQUINONEヘキシルプロパ-2-エノアートageflexn-ha408905-25MLAgeflex FA-6hexyl2-propenoateAcrylic acid hexyl

219-698-5hexyl prop-2-enoaten-HexylacrylateAcrylic Acid Hexyl EsterMFCD00048881NSC 11786ALLYLN-HEXYLETHERCCRIS 7038

データベース識別子

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

物性

構造計算による物性

XLogP: 3.4
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 7
重原子数: 11
形式電荷: 0
複雑度: 119

実験および物理化学的性質

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.

物理化学的性質

融点: -45 °C · -45°C
沸点: 88 · 88-90 °C24 mm Hg(lit.)
比重(密度): 0.888 g/mL · 0.888 g/mL at 25 °C(lit.)
蒸気圧: 1.3 hPa · 1.3hPa at 20℃
屈折率: 20 · n20/D 1.428(lit.)
闪点: 155 °F · 155 °F
貯蔵温度: 2 · 2-8°C
外見: clear liquid
色: Colorless to Light yellow
水溶解度: 57.4 mg/L · 57.4mg/L at 20℃
凝固点: -45 · -45
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℃
CAS データベース: 2499 · 2499-95-8(CAS DataBase Reference)
EPAの化学物質情報: Hexyl acrylate (2499-95-8)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 3 件

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 · 1 件

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).

安全と保護具

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

First Aid Measures · 4 件

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 · 1 件

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.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol.

Signs and Symptoms · 4 件

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/

安全データ

wgk: 2
tsca: TSCA listed
rtecs: AT1450000
ridadr: 3082
毒性: rabbit,LD50,skin,5660uL/kg (5.66mL/kg),American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
hs_code: 29161290
risk_code: 36/37/38-43-51/53
化審法: (2)-3267
消防法: 危-4-2-III
hazard_code: Xi,N
safety_code: 24-26-37-61
hazard_class: 9
packing_group: III
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1BSTOT SE 3
ストレージクラス: 10 - Combustible liquids
有毒物質データの: 2499-95-8(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 3 件

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 · 2 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) No Data

(1981) No Data

U.S. Production · 3 件

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

応用分野 · 1 件

一般的な説明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.

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アクリル酸ヘキシル

基本情報