메틸(5-)-2-퍼퓨랄

5-Methylfurfural

HCID 12097CAS 620-02-0

기본 정보

표준 SMILES
Cc1ccc(C=O)o1
InChIKey
OUDFNZMQXZILJD-UHFFFAOYSA-N
분자식
C6H6O2
평균 분자량
110.11 g/mol
단동위원소 질량
110.03677943

개요

5-methyl-2-furaldehyde is a member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and methyl groups, respectively. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor, a flavouring agent, a Maillard reaction product and a human metabolite. It is an aldehyde and a member of furans.

이름 및 식별자

우선 이름
5-Methylfurfural
IUPAC
5-methylfuran-2-carbaldehyde
현지명
메틸(5-)-2-퍼퓨랄
영어명
5-Methyl furfural
분자식
C6H6O2
분자량
110.11

이름 및 동의어

5-METHYLFURFURAL5-Methylfuran-2-carbaldehyde5-Methyl-2-furaldehyde5-Methyl-2-furfural5-Methyl-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-methyl-5-methyl-2-furancarbaldehydeEINECS 210-622-6Furfural, 5-methyl-CCRIS 2921BRN 01068955-Methyl-2-furanaldehyde
이름 더 보기
5-메틸퍼퓨랄메틸(5-)-2-퍼퓨랄FEMA 2702Methylfurfural5-methyl fural
5-MethyIfurfuralUNII-4482BZC72D5-METHYLFURAN-2-ALDEHYDEAI3-365915-17-09-00404 (Beilstein Handbook Reference)METHYL-5-FURALDEHYDEMETHYL FURFURAL, 5-DTXSID1060714

데이터베이스 식별자

CAS
620-02-0
PubChem CID
12097
DTXSID
DTXSID1060714
ChEMBL
CHEMBL2230304
ChEBI
CHEBI:2091
UNII
4482BZC72D
EC Number
210-622-6
Nikkaji
J37.047I

물성

구조 계산 물성

XLogP
0.7
극성 표면적
30.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
8

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation
FragrancesFragrance Ingredient (5-Methylfurfural) -> IFRA transparency List
LogP · 2건

0.67

0.67

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.098-1.108
Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점
171 °C · 171 °C
끓는 점
187 · 187-189 °C(lit.)
밀도
1.107 g/mL · 1.107 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.531
FEMA
2702 · 2702 | 5-METHYLFURFURAL
인화점
163 °F · 163 °F

화학적 성질

5-Methylfurfural has a sweet, spicy, warm odor with a sweet caramel-like flavor. May be prepared from sucrose with HCL, followed by treating with stannous chloride; from various methylpentoses by distillation with acid.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 88.4% (380 of 430) of all reports.

Warning

H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 430 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Furancarboxaldehyde, 5-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Furancarboxaldehyde, 5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (11.4%)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
LT7032500
HS 번호
29329995
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2-Furancarboxaldehyde, 5-methyl-: ACTIVE
응용 분야 · 3건

출처Reported found in sour cherry, apple, orange juice, cranberry, blueberry, guava, grapes, raisin, peach, blackberry, strawberry jam, asparagus, carrot, onion, potato, bell pepper, tomato, cinnamon, bark, clove bud, bread, parmesan cheese, yogurt, butter, egg, fatty fish, beef, pork liver, beer, cognac, coffee, tea, barley, filberts, popcorn, peanuts, oats, soybean, roasted coconut, cloudberry, passion fruit, pecan, mushroom, starfruit, trassi, sesame seed, mango, tamarind, rice bran, quince, sweet potato, sukiyaki, calamus, licorice, malt, wort, elderberry, mangosteen, kiwifruit, buchu oil, Bourbon vanilla, wild rice, chicory root, shrimp, oyster, clam, okra, pistachio nut and maté

용도5-methylfurfural is an intermediate for the synthesis of s-bioallethrin and prallethrin.It used for blending coffee, chocolate, nuts, caramel, spices and on food fragrance. Used in the synthesis of pharmaceutical intermediates.

일반 설명5-Methylfurfural is formed during the photoexposition of ranitidine hydrochloride. It is employed as potential age marker for Madeira wine. It is a volatile compound present in Lavandula stoechas, Lavandula angustifolia and Lavandula angustifolia x latifolia unifloral honeys.

제조 방법

From sucrose with HCl, followed by treating with stannous chloride; 5-Methyl furfural is produced by distillation of various methylpentoses with acid together.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
枣庄九星生物科技有限公司0632-3759569 13589608009
INTATRADE GmbH+49 3493/605464 · [email protected]

관련 반응

82건

연결된 노트

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5-Methylfurfural (HCID 12097)|Huagongshe