Methyl heptanoate (HCID 7826)

개요

Methyl heptanoate is a fatty acid ester.

이름 및 식별자

우선 이름: Methyl heptanoate
IUPAC: methyl heptanoate
현지명: 에난틴산메틸에스테르
영어명: Methyl heptanoate
분자식: C8H16O2
분자량: 144.21

이름 및 동의어

METHYL HEPTANOATE106-73-0Methyl enanthateHeptanoic acid methyl esterHeptanoic acid, methyl esterMethyl n-heptylateMethyl heptoateMethyl oenanthylateMethyl heptylateMethyl n-heptanoateEnanthic Acid Methyl EsterFEMA No. 2705

이름 더 보기

메틸헵타노에이트메틸헵탄산염에난틴산메틸에스테르메틸헵탄산염메틸 헵타노에이트FEMA 2705MethyloenanthateHEPTANOIC METHYLmethyln-heptylatemethyloenanthylate

MFCD00009537Heptanoic acid-methyl esterMethyl ester of heptanoic acidMethyl Heptanoate(Heptanoic Acid Methyl Ester)1J543V5703Methyl heptylate (natural)Enanthic acid methylEINECS 203-428-8

데이터베이스 식별자

CAS: 106-73-0
PubChem CID: 7826
DTXSID: DTXSID3059345
ChEBI: CHEBI:88620
UNII: 1J543V5703
EC Number: 203-428-8
Nikkaji: J388C

물성

구조 계산 물성

XLogP: 3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 10
형식 전하: 0
복잡도: 89.3

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]

SolventsSolvents -> Esters (<C12)

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (Methyl heptanoate) -> IFRA transparency List

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.87115 (20 °C)

물리화학적 성질

녹는점: -56 °C · -56°C
끓는 점: 172 · 172-173 °C(lit.)
밀도: 0.87 g/mL · 0.87 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.411(lit.)
FEMA: 2705 · 2705 | METHYL HEPTANOATE
인화점: 127 °F · 127 °F
저장 조건: room temp
용해도: Chloroform: soluble; Ethanol: soluble; Ethyl ether: soluble
물리적 상태: 액체
색상: 무색~연황색
냄새: 100 %에서 · 100.00%에서. 달콤한 과일 녹색 오리스 밀랍 꽃 베리
냄새 유형: 과일 같은
생물학적 소스: synthetic
비열: 1.98 J/ · Cp(liquid): 1.98 J/(g·K), at 25℃
JECFA Number: 167 · 167
BRN: 1747147 · 1747147
Henry's Law Constant: 1.8 · 1.8×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004)
Dielectric constant: 4.36 · 4.3600000000000003
주요 응용: 청소용품화장품향료 및 향음식 및 음료개인 위생 관리
화장품 원료 기능: 향수
InChI: 1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
InChIKey: XNCNNDVCAUWAIT-UHFFFAOYSA-N
SMILES: CCCCCCC(=O)OC
LogP: 2.83 · 2.83
NIST: Heptanoic acid, methyl ester(106-73-0)
EPA: Methyl heptanoate (106-73-0)

화학적 성질

Methyl heptanoate has a strong, almost fruity, orris-like odor and currant-like flavor.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1450) of reports.

Warning

H226 (11.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1450 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Heptanoic acid, methyl ester

Heptanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Heptanoic acid, methyl ester: Environment tier I assessment

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (11.2%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: MJ2297500
ridadr: UN 3272 3/PG 3
독성: LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
HS 번호: 2915 90 70
risk_code: 36/37/38
hazard_code: Xi
safety_code: 16-26-36
포장분류: III
위험 등급: 3.2
기존화학 물질: KE-18290
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Cellular LocationsExtracellular

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 InformationHeptanoic acid, methyl ester: ACTIVE

응용 분야 · 4건

개요Methyl heptanoate has a strong, almost fruity, orris-like odor with a currant-like flavor. Methyl heptanoate may be prepared by treating heptanoic acid with methyl alcohol in the presence of HCL or H2SO4.

출처Reported found in cranberry, papaya, pineapple, blackberry, strawberry, peas, pepper, Parmesan cheese, hop oil, white wine, olive, starfruit, malt, Bourbon vanilla, mountain papaya, endive, nectarine, lanb’s lettuce, mussel, spineless monkey orange and rooibus tea (Aspalathus linearis)

용도Methyl heptanoate may be used as an external standard for the extraction and quantification of aroma compounds in stratch matrices using gas chromatography technique.

일반 설명Methyl heptanoate has been identified in pineapple, Hardy kiwifruit and salak fruit.

제조 방법

By treating heptanoic acid with methyl alcohol in the presence of HCl or H2SO4

상·하류 제품 정보

상류 원료

하류 제품

methyl 3-(2-chloro-3，3，3-trifluoro-1-propenyl)-2，2-di-methyl-cyclopropane carboxylate Misoprostol 3-헥신 헵틸 헵탄산

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

연결된 노트

불러오는 중…

에난틴산메틸에스테르

기본 정보

개요