Menthofuran

HCID 329983

기본 정보

CAS: 17957-94-7
표준 SMILES: Cc1coc2c1CCC(C)C2
InChIKey: YGWKXXYGDYYFJU-UHFFFAOYSA-N
분자식: C10H14O
평균 분자량: 150.22 g/mol
단동위원소 질량: 150.10446507

개요

Menthofuran is a monoterpenoid that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6. It has a role as a nematicide and a plant metabolite. It is a monoterpenoid and a member of 1-benzofurans.

이름 및 식별자

우선 이름: Menthofuran
IUPAC: 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran
영어명: Menthofuran
분자식: C10H14O
분자량: 150.22

이름 및 동의어

Menthofuran494-90-63,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran3,9-Epoxy-p-mentha-3,8-dieneBENZOFURAN, 4,5,6,7-TETRAHYDRO-3,6-DIMETHYL-p-Mentha-3,8-diene, 3,9-epoxy-DTXSID9025534FEMA No. 32354,5,6,7-Tetrahydro-3,6-dimethylcoumaroneLK024V9U3CDTXCID005534CHEBI:50542

이름 더 보기

FEMA 3235MENTHOFURAMENTHOFURAN(SG)Menthofuran,95%UNII:LK024V9U3CMENTHOFURAN WITH GC

RefChem:156491Menthofurane3,6-dimethyl-4,5,6,7-tetrahydrobenzofuran4,5,6,7-Tetrahydro-3,6-dimethylbenzofuranMFCD00041851NSC-3152494,5,6,7-TETRAHYDRO-3,6-DIMETHYL-BENZOFURAN(S)-3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran

데이터베이스 식별자

CAS: 17957-94-7、494-90-6
PubChem CID: 329983
DTXSID: DTXSID9025534
ChEMBL: CHEMBL1522900
ChEBI: CHEBI:50542
UNII: LK024V9U3C
EC Number: 207-795-5
Nikkaji: J11.817F

물성

구조 계산 물성

XLogP: 3
극성 표면적: 13.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 144

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.960-0.970

Solubility · 2건

insoluble in water; soluble in oils

miscible (in ethanol)

Boiling Point · 2건

80.00 to 82.00 °C. @ 13.00 mm Hg

196 °C; 95 °C (20 mm Hg); 80 °C (18 mm Hg); 90-92 °C (3 mm Hg)

Melting Point86.00 °C. @ 760.00 mm Hg

물리화학적 성질

녹는점: 86 °C · 86°C
끓는 점: 80 · 80-82 °C13 mm Hg(lit.)
밀도: 0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.485(lit.)
FEMA: 3235 · 3235 | 4,5,6,7-TETRAHYDRO-3,6-DIMETHYLBENZOFURAN
인화점: 168 °F · 168 °F
저장 조건: Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
색상: 맑은 연한 노란색
냄새: 1 % · 디프로필렌 글리콜 중 1.00%. 톡 쏘는 곰팡내 나는 견과류 향이 나는 커피
냄새 유형: 곰팡내 나는
JECFA Number: 758 · 758
안정성: 용액이 불안정하다
화장품 원료 기능: 향수
LogP: 4.02 · 4.02
EPA: 4 · Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl- (494-90-6)

화학적 성질

Menthofuran occurs as the (+) isomer, in peppermint essential oils. It is a colorless liquid with a minty odor.

안전 및 규제

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

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1646) of reports.

Warning

H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1646 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 2건

Chemical: Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-

Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Pulegone and related substances: Human health tier II assessment

Hazard Classes and Categories · 2건

Acute Tox. 4 (> 99.9%)

Acute toxicity (ingestion) - category 3

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: DF7995750
HS 번호: 29329990
safety_code: 24/25

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationBenzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-: ACTIVE

응용 분야

출처Reported found in peppermint oil, corn mint oil, spearmint oil, Scotch spearmint oil, pennyroyal oil and other Mentha oils and buchu oil.

제조 방법

(+)-Menthofuran [17957-94-7] is isolated fromMentha oils or is prepared synthetically, for example, by treatment of (+)-pulegone with fuming sulfuric acid in acetic anhydride and pyrolysis of the resulting sultone.

상·하류 제품 정보

상류 원료

Benzofuran,3,6-dimethyl-

공급사100 곳

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

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]

山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]

深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]

화합물 노트

불러오는 중…

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기본 정보

CAS: 17957-94-7
표준 SMILES: Cc1coc2c1CCC(C)C2
InChIKey: YGWKXXYGDYYFJU-UHFFFAOYSA-N
분자식: C10H14O
평균 분자량: 150.22 g/mol
단동위원소 질량: 150.10446507

개요