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포름산노르말아밀에스테르

Pentyl formate

HCID 12529
노트반응

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

기본 정보

CAS
638-49-3
표준 SMILES
CCCCCOC=O
InChIKey
DIQMPQMYFZXDAX-UHFFFAOYSA-N
분자식
C6H12O2
평균 분자량
116.16 g/mol
단동위원소 질량
116.08372962

이름 및 식별자

우선 이름
Pentyl formate
IUPAC
pentyl formate
현지명
포름산노르말아밀에스테르
영어명
AMYL FORMATE
분자식
C6H12O2
분자량
116.16

이름 및 동의어

Pentyl formateAmyl formate638-49-3Formic acid, pentyl estern-Amyl formateN-PENTYL FORMATEn-Pentyl methanoateAmyl methanoatePentyl methanoatem-Pentyl formateFEMA No. 2068Formic Acid n-Amyl Ester
이름 더 보기
n-아밀폼산포름산노르말아밀에스테르n-아밀폼산(n-AMYLFORMATE)N-아밀 폼산n-펜틸포메이트FEMA 2068AmylformiatamylformatesPentylformiatAmylFormate>1-pentylformate
MFCD00040440NSC-72023P46O2510D8Formic Acid Amyl Esterformic acid pentyl esterEINECS 211-340-6NSC 72023BRN 1743363

데이터베이스 식별자

CAS
638-49-3
PubChem CID
12529
DTXSID
DTXSID2047698
ChEBI
CHEBI:173428
UNII
P46O2510D8
EC Number
211-340-6
Nikkaji
J6.926D

물성

구조 계산 물성보충 중

XLogP
1.9
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
5
무거운 원자 수
8
형식 전하
0
복잡도
52

실험 및 물리화학적 성질

Density0.881-0.887
Solubility · 2건

miscible with alcohol, ether, most organic solvents

(in ethanol)

Flash Point79 °F (NFPA, 2010)
Boiling Point · 2건

130.00 to 131.00 °C. @ 760.00 mm Hg

128-130 °C

Melting Point-73.5 °C
Refractive Index1.396-1.402
Physical Description · 4건

N-amyl formate appears as a clear colorless liquid with a plum-like odor. Less dense than water and insoluble in water. Vapors are heavier than air.

Clear colorless liquid with an odor like plums; [CAMEO]

Liquid

colourless to pale yellow liquid with a fruit-like odour

Kovats Retention Index · 3건

810;810;812;810;810;810;810;772;810;772

827;825;826;784;787;797;765;781;787;795;797;827

1187

물리화학적 성질

안전 및 규제

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

GHS 분류

GHS Classification · 6건

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids];H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

유해성 정보

Regulatory Information · 3건

Chemical: Formic acid, pentyl ester

Status: Cease Manufacture Update: 05-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19992

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Formic acid, pentyl ester: Human health tier I assessment;IMAP assessments - Formic acid, pentyl ester: Environment tier I assessment
DOT LabelFlammable Liquid
Fire Hazards · 1건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024)

화학 및 산업

약리 정보

Cellular LocationsCytoplasm;Extracellular

용도 및 제조

UsesUsed as a flavoring agent; [FDA]
Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationFormic acid, pentyl ester: ACTIVE
응용 분야 · 3건

출처Identified in apple, strawberry, tomato, fried cured pork, cognac, honey and Pyrus malus

용도Solvent for cellulose esters, resins; solvent mixtures; films and coatings; perfume for leather; flavoring.

일반 설명A clear colorless liquid with a plum-like odor. Flash point 79°F. Less dense than water and insoluble in water. Vapors are heavier than air.

제조 방법

From n-amyl alcohol and formic acid in the presence of H2SO4

상·하류 제품 정보

상류 원료

일산화탄소(가스)1-펜타놀

하류 제품

Pentyl cinnamate펜틸4-하이드록시벤조에이트(INCI:펜틸파라벤)

관련 반응

1건
반응 기록 만들기
HRID 2225044 반응식
HRID 2225044생성물로uspto-grants-2008_05

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
녹는점
-73.5 ℃ · -73.5℃
끓는 점
132 °C · 132 °C (lit.)
밀도
0.884 g/mL · 0.884 g/mL at 25 °C (lit.)
증기압
70 hPa · 70 hPa (50 °C)
FEMA
2068 · 2068 | AMYL FORMATE
굴절률
20 · n20/D 1.399(lit.)
인화점
83 °F · 83 °F
저장 조건
30 °C · Store below +30°C.
물리적 상태
투명한 액체
색상
무색 내지 거의 무색
냄새
10 % · 디프로필렌 글리콜 중 10.00%. 강력하고 미묘한 과일향 언립 바나나 그린 흙향
냄새 유형
과일 같은
폭발한계
1.7 · 1.7-10%(V)
수용성
2.904 g/L · 2.904g/L(22 ºC)
JECFA Number
119 · 119
Henry's Law Constant
1.7 · 1.7×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant
6.5 · 6.5(20℃)
화장품 원료 기능
향수
InChI
1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3
InChIKey
DIQMPQMYFZXDAX-UHFFFAOYSA-N
SMILES
O(CCCCC)C=O
LogP
2.786 at · 2.786 at 25℃
EPA
Formic acid, pentyl ester (638-49-3)
화학적 성질 · 1건

Colorless liquid composed of a mixture of isomeric amyl formates with isoamyl formate in predominance. Plum-like odor. Less odoriferous and more active solvent than amyl acetate. It also has both a lower boiling point and a higher rate of evaporation. Miscible with oils, hydrocarbons, alcohols, ketones; slightly soluble in water.

Health Hazards · 1건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)

Hazards SummaryA mild skin irritant; [RTECS] Safe when used as a flavoring agent in food; [JECFA] An irritant; Targets the CNS, lungs, and kidney; [Sigma-Aldrich MSDS] See Ethyl formate.
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsHighly Flammable
Reactivity Profile · 1건

N-AMYL FORMATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Air and Water ReactionsHighly flammable. Insoluble in water.
Hazard Classes and Categories · 5건

Flam. Liq. 2 (15.6%);Flam. Liq. 3 (84.4%);Eye Irrit. 2 (100%);STOT SE 3 (100%)

Flammable liquid - category 3;Eye irritation - category 2;Specific target organ toxicity (single exposure) - category 3

Flammable liquids - Category 3

Flammable agents - 3rd degree

Flam. Liq. 3;STOT SE 3;Eye Irrit. 2

안전 및 보호

Fire Fighting · 1건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.;SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane (UN1261) or nitroethane (UN2842).;LARGE FIRE: Water spray, fog or alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

First Aid · 1건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;Refer to the "General First Aid" section. Specific First Aid: Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. (ERG, 2024)

Nonfire Spill Response · 1건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.;LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

Isolation and Evacuation · 1건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

규제 정보

Regulatory Information · 3건

Chemical: Formic acid, pentyl ester

Status: Cease Manufacture Update: 05-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19992

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
LQ9370000
ridadr
UN 1109 3/PG 3
독성
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
HS 번호
2915 13 00
risk_code
10-36/37
hazard_code
Xi
safety_code
24
포장분류
III
위험 등급
3.2
기존화학 물질
KE-17245
Hazard Classifications
Eye Irrit. 2Flam. Liq. 3STOT SE 3
스토리지 클래스
3 - Flammable liquids
FEMA 2079
3H-이미다조[4,5-c]피리딘,3-에틸-(9Cl)