Menthone

HCID 26447CAS 10458-14-7

기본 정보

표준 SMILES
CC(C)[C@@H]1CC[C@@H](C)CC1=O
InChIKey
NFLGAXVYCFJBMK-BDAKNGLRSA-N
분자식
C10H18O
평균 분자량
154.25 g/mol
단동위원소 질량
154.13576519

이름 및 식별자

우선 이름
Menthone
IUPAC
trans-(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
영어명
L-MENTHONE
분자식
C10H18O
분자량
154.25

이름 및 동의어

MENTHONE89-80-5trans-Menthonep-MenthoneNeomenthoneMenthone racemictrans-Menthan-3-onetrans-p-Menthan-3-onep-Menthan-3-one, trans-Menthone G(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-oneCyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-
이름 더 보기
(-)-MenthoneP-MENTHAN-3-ONE(2S,5R)-2-isopropyl-5-methylcyclohexan-1-one1-MENTHONELevo-MenthoneLAEVO MENTHONEl-Menthone,85%(2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXANONEFEMA 266785.0%(GC)
9NH5J4V8FNCyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel-CHEBI:36503RefChem:925486SINGLEEX ISOMENTHONEMENTHONE, (A+-)-201-941-1214-049-2

데이터베이스 식별자

CAS
10458-14-7、1074-95-9、14073-97-3、89-80-5
PubChem CID
26447
ChEMBL
CHEMBL276311
ChEBI
CHEBI:15410
UNII
5F709W4OG4
EC Number
201-941-1、237-926-1
Nikkaji
J9.142A

물성

구조 계산 물성

XLogP
2.7
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

LogP3.05
Odor · 2건

Slight peppermint odor

CHARACTERISTIC ODOR SIMILAR TO MENTHOL

TasteBitter
Density0.888-0.895
Color/FormColorless, oily, mobile liq
Solubility · 6건

Slightly sol in water; sol in org solvents /L-form/

SOL IN ALC, ETHER, ACETONE, ACETIC ACID, ALL PROP IN BENZENE; SLIGHTLY SOL IN WATER /D & DL-FORMS/

SOL IN ALL PROP IN ALC, ETHER, CARBON DISULFIDE /L-FORM/

SOL IN ACETONE /L-FORM/

Sol in alc, fixed oils; very slightly sol in water.

SOL IN MOST COMMON ORG SOLVENTS

물리화학적 성질

녹는점
-6 °C · -6 °C
끓는 점
207 · 207-210 °C(lit.)
밀도
0.893 g/mL · 0.893 g/mL at 20 °C(lit.)
증기압
0.5 mm · 0.5 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.45(lit.)
FEMA
2667 · 2667 | MENTHONE

화학적 성질

clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1816) of reports.

Warning

H226 (74.2%): Flammable liquid and vapor [Warning Flammable liquids];H315 (14.6%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (14.2%): May cause an allergic skin reaction [Warning Sensitization, Skin];H412 (88.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1816 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 1816 reports by companies.;There are 14 notifications provided by 1815 of 1816 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 6건

Chemical: Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel-

Chemical: Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-trans)-

Regulation (EC) No 1831/2003 (amended)

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)- 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)

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel- 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)

Status: Active Update: 08-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12246

Other Safety Information · 2건

IMAP assessments - Menthone and isomenthone: Human health tier II assessment

IMAP assessments - Menthone and isomenthone: Human health tier II assessment

Hazards Summary · 2건

Emergency treatment: Peppermint oil; A mild skin irritant in rabbits; After oral dosing at 400-800 mg/kg/day for 28 days, rats have liver and kidney dysfunction and histopathological cysts in the white matter of the cerebellum; [HSDB] Peppermint oil causes CNS depression and hypothermia in rat feeding studies; [Haddad, p. 1439] Safe when used as a flavoring agent in food; [JECFA]

A skin irritant that may cause sensitization; [ECHA REACH Registrations] May cause irritation; [Sigma-Aldrich MSDS] Search for (14073-97-3[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed] See Menthone.

FDA Requirements · 1건

Menthone is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

Hazard Classes and Categories · 4건

Flam. Liq. 3 (74.2%);Skin Irrit. 2 (14.6%);Skin Sens. 1 (14.2%);Aquatic Chronic 3 (88.8%)

Skin Irrit. 2 (92.7%);Skin Sens. 1 (92.6%)

Skin irritation - category 2

Skin irritation - category 2

안전 및 보호

Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 120(SRC), determined from a water solubility of 688 mg/l(2) and a regression-derived equation(3), indicates that menthone is expected to have high mobility in soil(SRC). Volatilization of menthone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.6X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(4). Menthone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.28 mm Hg(SRC), determined from a fragment constant method(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 120(SRC), determined from a water solubility of 688 mg/l(2) and a regression-derived equation(3), indicates that menthone is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.6X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Volatilization half-lives for a model river and model lake are 0.5 and 8 days, respectively(SRC), using an estimation method(3). According to a classification scheme(5), an estimated BCF value of 15(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), menthone, which has an estimated vapor pressure of 0.28 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase menthone is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 14 hours(SRC) from its estimated rate constant of 2.6X10-11 cu cm/molecule-sec(SRC), determined by a fragment constant estimation method(3).

Adverse Effects · 2건

Neurotoxin - Other CNS neurotoxin;Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

Effluent ConcentrationsMenthone was identified, not quantified, in the exudate of garden wastes(1).
Soil Adsorption/Mobility · 1건

The Koc of menthone is estimated as approximately 120(SRC), using a water solubility of 688 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that menthone is expected to have high mobility in soil(SRC).

Natural Pollution SourcesMenthone is found naturally in many essential oils, such as pennyroyal, peppermint and geranium(1).
Artificial Pollution SourcesMenthone's production and use in perfumes and flavor compositions(1) may result in its release to the environment through various waste streams(SRC).

규제 정보

Regulatory Information · 6건

Chemical: Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel-

Chemical: Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-trans)-

Regulation (EC) No 1831/2003 (amended)

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)- 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)

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel- 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)

Status: Active Update: 08-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12246

FDA Requirements · 1건

Menthone is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
OS9542200
ridadr
NA 1993 / PGIII
HS 번호
29142990
risk_code
43

화학 및 산업

약리 정보

Metabolism/Metabolites...KETONES (EG CARVONE & MENTHONE) ARE REDUCED TO SECONDARY ALCOHOLS WHICH ARE THEN EXCRETED AS GLUCURONIDES. MENTHONE, ASYMMETRIC REDUCTION /TO/ NEO-MENTHOL, GLUCURONIDE CONJUGATION /TO/ MENTHYL GLUCURONIDE.
Cellular LocationsExtracellular;Membrane

용도 및 제조

Uses · 4건

Ketone present in peppermint oil; [Hawley] Used in perfumes and flavorings; [HSDB] Peppermint oil contains menthol, menthone, and more than 30 other chemicals. It is widely used as a flavoring agent and herbal remedy. [Haddad, p. 1439]

Present in a variety of volatile oils; Used in perfumes and flavors; [Merck Index] Used in cleaning-washing products, polishes, waxes, consumer biocidal products, and cosmetics-personal care products; [ECHA REACH Registrations]

In perfume & flavor compositions /L-form/

Use (kg; approx.) in Germany (2009): >10;Consumption (g per capita; approx.) in Germany (2009): 0.000122;Calculated removal (%): 82.3

U.S. Production · 2건

2023: 10,000 lb;2022: 11,000 lb;2021: 26,000 lb;2020: 32,000 lb

2023: 1,130 lb;2022: 1,184 lb;2021: 1,123 lb;2020: 387 lb

Consumer UsesFragrance;Not Known or Reasonably Ascertainable
Industry Uses · 2건

Fragrance

Not Known or Reasonably Ascertainable

Methods of ManufacturingBY OXIDATION OF MENTHOL...
Formulations/Preparations · 2건

ASSAY: 98% /DL-FORM/; 95% /OPTICALLY ACTIVE FORM/

Note: Apinol obtained by dry distillation of wood of Pinus palustris mill (P australis michx), Pinaceae is chiefly L-menthone... Amber-colored oil, BP about 182.2 °C, density 0.946. /Apinol/

응용 분야

용도L-Menthone is used in perfumery and cosmetics for its characteristic aromatic and minty odor. And it is also used in synthesis of agrochemicals, and dyestuff.

일반 설명(-)-Menthone is a monoterpenoid compound found in the essential oil extracted from the maturing peppermint (Mentha piperita L.) leaves.

상·하류 제품 정보

하류 제품

공급사50 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

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