2-Hydroxy-3-methyl-2-cyclopenten-1-one

HCID 6660CAS 80-71-7

기본 정보

표준 SMILES
CC1=C(O)C(=O)CC1
InChIKey
CFAKWWQIUFSQFU-UHFFFAOYSA-N
분자식
C6H8O2
평균 분자량
112.13 g/mol
단동위원소 질량
112.0524295

개요

Cyclotene is a metabolite found in or produced by Saccharomyces cerevisiae.

이름 및 식별자

우선 이름
2-Hydroxy-3-methyl-2-cyclopenten-1-one
IUPAC
2-hydroxy-3-methylcyclopent-2-en-1-one
영어명
Methyl cyclopentenolone
분자식
C6H8O2
분자량
112.13

이름 및 동의어

80-71-7CycloteneCorylone2-HYDROXY-3-METHYL-2-CYCLOPENTEN-1-ONE2-hydroxy-3-methylcyclopent-2-en-1-oneCycloten2-Cyclopenten-1-one, 2-hydroxy-3-methyl-2-Hydroxy-1-methylcyclopenten-3-oneCyclotene (ordorant)NSC-133445627E92X64BFEMA No. 2700
이름 더 보기
FEMA 27002-HYDROXY-3-METHYL-2-CYCLOPENTENONE
DTXSID4035128RefChem:581283DTXCID2015128201-303-2Methylcyclopentenolone2-Hydroxy-3-methylcyclopent-2-enoneCorylonMaple lactone

데이터베이스 식별자

CAS
80-71-7
PubChem CID
6660
DTXSID
DTXSID4035128
UNII
627E92X64B
EC Number
201-303-2
Nikkaji
J10.510D

물성

구조 계산 물성

XLogP
0.3
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Organic Compounds
FragrancesFragrance Ingredient (Methylcyclopentenolone) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physical DescriptionCBI; Large Crystals

물리화학적 성질

녹는점
104 · 104-108°C
끓는 점
170.05 °C · 170.05°C (rough estimate)
밀도
1.0795 · 1.0795 (rough estimate)
증기압
2.1 hPa · 2.1hPa at 20℃
FEMA
2700 · 2700 | METHYLCYCLOPENTENOLONE
굴절률
1.4532 · 1.4532 (estimate)
화학적 성질 · 1건

Methyl cyclopentenolone occurs in beechwood tar and has a caramel-like (burnt sugar) odor. It has been identified as a flavor component in food. Crystals of the compound usually contain 1 mol of water. Synthetic routes of production are of limited importance in comparison with isolation from beechwood tar. Homologs of cyclotene such as 3-ethyl-2-hydroxy-2-cyclopenten-1-one, C7H10O2, Mr 126.16, 2-hydroxy-3,4-dimethyl-2-cyclopenten-1-one, C7H10O2, Mr 126.16, and 2-hydroxy-3,5-dimethyl-2-cyclopenten-1-one, C7H10O2, Mr 126.16, are also used as flavor ingredients and have similar caramel-like properties. Cyclotene and its homologs are frequently used in flavor compositions for its caramel note, for example, in beverages and in confectionery.

안전 및 규제

GHS 분류

GHS Classification · 2건

Not Classified

Aggregated GHS information provided per 1763 reports by companies from 8 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 5건

Chemical: 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-

Regulation (EC) No 1831/2003 (amended)

2-Cyclopenten-1-one, 2-hydroxy-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Cyclopenten-1-one, 2-hydroxy-3-methyl- 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)

REACH registered substance: 2-hydroxy-3-methylcyclopent-2-enone (EC: 201-303-2)

Cylcotene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySee 2-Pentyl-2-cyclopenten-1-one.
Hazard Classes and CategoriesNot Classified

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
GY7298000
HS 번호
29144090
risk_code
36/37/38-43
hazard_code
Xi

화학 및 산업

용도 및 제조

UsesActive product registrations in the US for use in insect traps; [NPIRS] Product of sugar degradation. [ChemIDplus] Product category is Analytical/Chromatography and Flavors and Fragrances. [Sigma-Aldrich]
U.S. Production2023: <75,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 5 consumer products that contain 2-Hydroxy-3-methylcyclopent-2-enone in the following categories is provided:
Use Classification · 5건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야 · 3건

출처Reported to be found during the dry distillation of wood and in the corresponding tar oil. It has also been identified in fenugreek (FenaroWs Handbook of Flavor Ingredients, 1975).

용도Methyl Cyclopentenolone is a flavoring agent that is a white crys- talline powder. it has a nutty odor suggesting a maple-licorice aroma when diluted. it is soluble in alcohol and propylene glycol, slightly soluble in most fixed oils, and sparingly soluble in water. it is obtained by synthesis. it is also termed 3-methyl-cyclopentane-1,2-dione.

일반 설명Methyl cyclopentenolone is one of the flavor compounds of maple syrup, coffee oil and wood smoke. It is reported to be one the key aroma compounds in Wasanbon sugar, contributing to the maple-like flavor. Methyl cyclopentenolone is also one of the major volatile compound formed during the thermal degradation of glucose.

제조 방법

By ketonic hydrolysis of the corresponding dicarboxylic ester (Arctander, 1969)

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河北创之源生物科技有限公司13012111162
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

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