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메타크릴산노르말헥실에스테르

Hexyl methacrylate

HCID 8872
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
142-09-6
표준 SMILES
C=C(C)C(=O)OCCCCCC
InChIKey
LNCPIMCVTKXXOY-UHFFFAOYSA-N
분자식
C10H18O2
평균 분자량
170.25 g/mol
단동위원소 질량
170.13067981

개요

N-hexyl methacrylate is a clear colorless liquid. (NTP, 1992)

이름 및 식별자

우선 이름
Hexyl methacrylate
IUPAC
hexyl 2-methylprop-2-enoate
현지명
메타크릴산노르말헥실에스테르
영어명
Hexyl methacrylate
분자식
C10H18O2
분자량
170.25

이름 및 동의어

HEXYL METHACRYLATE142-09-6N-Hexyl methacrylateHexyl 2-methyl-2-propenoateMethacrylic acid, hexyl ester2-Propenoic acid, 2-methyl-, hexyl esterENT 25419DTXSID4025406NSC-24169538B2Q3HSVDTXCID705406RefChem:830078
이름 더 보기
N-헥실메타크릴레이트메타크릴산노르말헥실에스테르N-헥실 메타크릴레이트nHMAent25419HexylmethacrylatHexyl 2-methylacrylateMethacrylic acid hexylHexyl Methacrylate hexyl2-methyl-2-propenoate
205-521-9hexyl 2-methylprop-2-enoateMethacrylic Acid Hexyl EsterMFCD00015283UNII-538B2Q3HSVAI3-25419NSC24169Tox21_201680

데이터베이스 식별자

CAS
142-09-6
PubChem CID
8872
DTXSID
DTXSID4025406
ChEMBL
CHEMBL1422108
UNII
538B2Q3HSV
EC Number
205-521-9
Nikkaji
J47.830J

물성

구조 계산 물성

XLogP
4
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
7
무거운 원자 수
12
형식 전하
0
복잡도
150

실험 및 물리화학적 성질

PolymersPlastics & Rubber -> (Meth)acrylates
CosmeticsCosmetic ingredients (Hexyl methacrylate) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Hexyl methacrylate) -> IFRA transparency List
Density · 2건

0.88 (NTP, 1992) - Less dense than water; will float

0.880 at 25 °C

Color/FormLiquid
Solubility · 2건

Slightly soluble (NTP, 1992)

Very soluble in acetone, benzene, ethyl ether, ethanol

Flash Point · 2건

180 °F (NTP, 1992)

180 °F (82 °C) (open cup)

Boiling Point · 4건

153 to 185 °F at 8 mmHg (NTP, 1992)

162 °C

BP: 67-85 °C at 8 mm Hg

BP: 86 °C at 17 mm Hg

Vapor Density · 2건

5.9 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

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)

Aggregated GHS information provided per 269 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Propenoic acid, 2-methyl-, hexyl ester

REACH registered substance: Hexyl methacrylate (EC: 205-521-9)

2-Propenoic acid, 2-methyl-, hexyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT LabelClass 9
Fire HazardsExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Fire PotentialCombustible
Health HazardsACUTE/CHRONIC HAZARDS: Toxic. (NTP, 1992)
Hazards Summary · 1건

May be sensitive to heat, light, and air; May polymerize or form peroxides; Toxic; [CAMEO] May polymerize; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline] See ACRYLIC RESINS (MONOMERS).

Reactive GroupAcrylates and Acrylic Acids
Reactivity Alerts

화학 및 산업

약리 정보

Metabolism/Metabolites · 2건

Acrylates and methacrylates are detoxified predominantly via conjugation with glutathione via the Michael addition reaction or glutathione-S-transferase. They are also likely to be hydrolyzed via carboxylesterases. The lower molecular weight esters are rapidly metabolized and eliminated, therefore, will not likely cause cumulative toxicity.

Small quantities of methacrylates may readily be metabolized by saponification into the alcohol and methacrylic acid. The latter may form an acetyl-coenzyme a derivative, which then enters the normal lipid metabolism. /Methacrylates/

용도 및 제조

Uses · 6건

CIR ingredient: Hexyl methacrylate

Used as monomer (plastics, molding powder, solvent coatings, adhesives, acrylic resins, and oil additives) and in emulsions for textile, leather, and paper finishing; [HSDB]

Pulp and Paper Processing [Category: Industry]

Monomer for plastics, molding powder, solvent coatings, adhesives, oil additives; emulsions for textile, leather and paper finishing.

Comonomer for acrylic resins.

Comonomer for polymers for deformation recording media.

U.S. ProductionProduction volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5399]
Methods of Manufacturing · 2건

The methacrylates can be synthesized by catalytic oxidation of isobutylene and subsequent esterification with the appropriate alcohol, or by reacting acetone with hydrocyanic acid and subsequent esterification in sulfuric acid with the appropriate alcohol. /Methacrylic esters/

Esterification or transesterification of n-hexyl alcohol with either methacrylic acid or methyl methacrylate

Use ClassificationFragrance Ingredients
General Manufacturing Information · 3건

2-Propenoic acid, 2-methyl-, hexyl ester: ACTIVE

관련 반응

6건
반응 기록 만들기
HRID 1150143 반응식
HRID 1150143생성물로반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1704378 반응식
HRID 1704378반응물로uspto-grants-1978_11
HRID 1926554 반응식
HRID 1926554반응물로uspto-grants-2012_05
HRID 2099602 반응식
HRID 2099602반응물로uspto-grants-2009_08
HRID 2220039 반응식
HRID 2220039반응물로uspto-grants-2008_08
HRID 2222048 반응식
HRID 2222048반응물로uspto-grants-2008_05

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

5.9 (Air = 1)

Polymerization · 1건

Methyl methacrylate, and in general the methacrylic esters, polymerize much less readily than the corresponding ordinary acrylates. Nonetheless, they are stabilized by adding hydroquinone or pyrogallol, particularly in the presence of metallic copper. /Methacrylates/

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

물리화학적 성질

녹는점
-59 · -59--55°C
끓는 점
88 · 88-89°C 14mm
밀도
0.863 g/mL · 0.863 g/mL at 25 °C(lit.)
증기압
24 Pa · 24Pa at 20℃
굴절률
1.431 · 1.4310
인화점
82 °C · 82°C
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
soluble in Benzene,Acetone,Ether,Ethanol
물리적 상태
투명한 액체
색상
무색 내지 거의 무색
수용성
29.9 mg/L · 29.9mg/L at 20℃
BRN
1754703 · 1754703
화장품 원료 기능
향수
InChI
1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3
InChIKey
LNCPIMCVTKXXOY-UHFFFAOYSA-N
SMILES
CCCCCCOC(=O)C(C)=C
LogP
4.34 at · 4.34 at 20℃
NIST
2 · 2-Propenoic acid, 2-methyl-, hexyl ester(142-09-6)
EPA
Hexyl methacrylate (142-09-6)

화학적 성질

Clear colorless liquid

Polymerizable
Reactivity ProfileN-HEXYL METHACRYLATE may be sensitive to heat, light, and air. Combustible, polymerizes. (NTP, 1992)
Air and Water ReactionsThis compound may be sensitive to heat, light, and air. May form peroxides. Slightly water soluble (NTP, 1992).
NFPA Hazard Classification · 3건

0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.

2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.

0 - Materials that in themselves are normally stable, even under fire conditions.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 및 보호

Fire Fighting · 1건

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Storage Conditions · 1건

Temp during storage must be kept low to minimize formation of peroxides and other oxidation products. ... Storage temp below 30 °C are recommended for the polyfunctional methacrylates. ... The methacrylate monomers should not be stored for longer than one year. Shorter storage times are recommended for the aminomethacrylates, ie, three months, and the polyfunctional methacrylates, ie, six months. Many of these cmpd are sensitive to UV light and should, therefore, be stored in the dark. The methacrylic esters may be stored in mild steel, stainless steel, or aluminum. /Methacrylic acid & derivatives/

Cleanup Methods · 1건

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 1건

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.

Preventive Measures · 3건

SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

SRP: Contaminated protective clothing should be segregated in a manner that results in no direct personal contact by personnel who handle, dispose of, or clean the clothing. Quality assurance procedures to confirm the efficacy of the cleaning procedures should be implemented prior to the decontaminated protective clothing being returned for reuse by the workers. Contaminated clothing (including shoes/socks) should not be taken home at end of shift, but should remain at employee's place of work for cleaning.

... Hazard is the generation of considerable exothermic heat in some of the reactions, so that high pressures & temp may develop. This danger ... should be borne in mind when designing plant. Awareness of the dangers and of good engineering design are essential to safety. Employees should be instructed about the necessity of cleansing the skin if it is contaminated by materials which are irritants or skin-absorbed. With careful design, however, and complete enclosure of those processes where toxic chemicals or intermediates occur, dangerous exposures can be avoided. /Acrylic acid & derivatives/

Isolation and EvacuationExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Personal Protective Equipment (PPE) · 2건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Suitable protective clothing and self-contained respiratory protective apparatus should be available for use of those who may have to rescue persons overcome by fumes. /Acrylic acid and derivatives/

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity Excerpts · 1건

/OTHER TOXICITY INFORMATION/ Biologically, methacrylates resemble acrylates, except for lower reactivity and thus decreased toxicity. This is probably due to steric hindrance by its methyl group and in turn decreased rates of membrane transport and systemic translocation. /Methacrylic esters/

Non-Human Toxicity Excerpts/GENOTOXICITY/ Ames assay (preincubation) in S. typhimurium TA98, TA100, TA1535, and TA1537 with and without rat and hamster liver S-9: negative.
Antidote and Emergency Treatment · 3건

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Esters and related compounds/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Provide a low-stimulus environment. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Treat frostbite by rapid rewarming ... . /Esters and related compounds/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Esters and related compounds/

안전 데이터

wgk
2
tsca
TSCA listed
ridadr
3082
HS 번호
29161400
risk_code
36/37/38-51/53-43
hazard_code
Xi
safety_code
26-36-36/37-24/25
포장분류
III
기존화학 물질
KE-25023
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스
10 - Combustible liquids
유해 물질 데이터
142-09-6(Hazardous Substances Data)

Alkyl mercury compounds have been used as seed disinfectants and for fungicides. They have also been used in organic synthesis. /Mercury alkyl compounds/

Methyl methacrylate, and in general the methacrylic esters, polymerize much less readily than the corresponding ordinary acrylates. Nonetheless, they are stabilized by adding hydroquinone or pyrogallol, particularly in the presence of metallic copper. /Methacrylates/

응용 분야

용도Hexyl Methacrylate can be used as a method for producing embedded or hybrid hydrogel contact lenses.

일반 설명Clear colorless liquid.

상·하류 제품 정보

하류 제품

Hexyl isobutyrate

공급사100 곳

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