Muskone

HCID 10947

기본 정보

CAS
541-91-3
표준 SMILES
CC1CCCCCCCCCCCCC(=O)C1
InChIKey
ALHUZKCOMYUFRB-UHFFFAOYSA-N
분자식
C16H30O
평균 분자량
238.41 g/mol
단동위원소 질량
238.22966558

이름 및 식별자

우선 이름
Muskone
IUPAC
3-methylcyclopentadecan-1-one
영어명
Muscone
분자식
C16H30O
분자량
238.41

이름 및 동의어

3-Methylcyclopentadecanone541-91-33-Methylcyclopentadecan-1-oneMUSKONECyclopentadecanone, 3-methyl-MethylexaltoneMoschus ketone3-Methyl-1-cyclopentadecanonedl-muscone5-Methyl-1-cyclopentadecanoneFEMA No. 3434dextro,laevo-muscone
이름 더 보기
MuskFEMA 3434(R)-(-)-Muscone(±)-MusconeMUSCONEMGC126323MGC126324
HSDB 1219EINECS 208-795-85JO79R7S9RAI3-38746MUSKONE [HSDB]DTXSID80521923-METHYL-1-CYCLOPENTADECANONE [FHFI](+-)-Muscone

데이터베이스 식별자

CAS
541-91-3
PubChem CID
10947
DTXSID
DTXSID8052192
UNII
5JO79R7S9R
EC Number
208-795-8
Nikkaji
J276.713I、J489.984I、J6.397E

물성

구조 계산 물성

XLogP
6.2
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
17

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Organic Compounds
Fragrances · 2건

Fragrance Ingredient (3-Methyl-1-cyclopentadecanone) -> IFRA transparency List

Fragrance

OdorPowerful soft, sweet animal musk
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.9921 g/cu cm @ 17 °C
Color/FormYELLOW

물리화학적 성질

녹는점
-15 °C · -15°C(lit.)
끓는 점
95 °C/0.1mmHg · 95°C/0.1mmHg(lit.)
밀도
0.9221 · 0.9221
증기압
0.041 Pa · 0.041Pa at 25℃
FEMA
3434 · 3434 | 3-METHYL-1-CYCLOPENTADECANONE
굴절률
1.477 to · 1.4770 to 1.4810
화학적 성질 · 1건

Muscone is an odoriferous constituent of natural musk. It is a colorless liquid with very soft, sweet, musky odor and a perfumery, animal tonality.Numerous syntheses have been developed for its preparation including enantioselective methods to obtain the naturally occurring (3R)-enantiomer (l-muscone,. Because of its excellent stability, it can be used in awide range of products to give elegant,warm, animal notes. It is important for the reconstitution of naturalmusk.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 99.7% (1559 of 1564) of all reports.

Not Classified

Aggregated GHS information provided per 1564 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 5건

Chemical: Cyclopentadecanone, 3-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Cyclopentadecanone, 3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentadecanone, 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)

Status: Active Update: 01-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18970

Cyclopentadecanone, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Cyclopentadecanone, 3-methyl-: Human health tier I assessment
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] Causes change in righting reflex and convulsions after intraperitoneal, lethal-dose studies in mice; [RTECS] Emergency treatment: Ketones; [HSDB]
FDA Requirements · 2건

Musk used as spices, seasonings, essential oils, oleoresins, and natural extracts in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Musk/

Certain other spices, seasonings, essential oils, oleoresins, and natural extracts that are generally recognized as safe for their intended use, within the meaning of section 409 of the act. Musk is included on this list. /Musk/

Hazard Classes and CategoriesNot Classified

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

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Natural Pollution Sources · 2건

THE SECRETION IS FOUND IN AN INTERNAL POUCH LOCATED UNDER THE SKIN OF THE ABDOMEN OF THE.../MUSK DEER/. THE MUSK POUCHES ARE REMOVED FROM THE ANIMAL & SUBSEQUENTLY DRIED, THUS CAUSING THE HARDENING & DARKENING OF THE SECRETION (SO-CALLED MUSK GRAINS) WITHIN THE POUCH. /MUSK/

Natural sources of musk incl musk glands of male musk deer, Moschus moschiferus, civet cat, Viverra civetta, louisiana muskrat, ambrette seeds, Abelmoschus moschatus, and angelica roots, Angelica archangelica. /musks/

Non-Human Toxicity Excerpts · 1건

In the present study, we investigated the effects of muscone on both in vitro and in vivo parameters of the hepatic microsomal drug-metabolizing enzyme system and other enzyme activities in rats. In the in vivo study, the serum dimethadione (DMO)/trimethadione (TMO) ratios at 2 hr after oral administration of trimethadione (100 mg/kg) were significantly increased in both male and female rats treated with 75 and 150 but not 40 mg muscone/kg. Antipyrine metabolite profile in 24 hr urine of rats pretreated with muscone (150 mg/kg) was examined. The results showed that the excretion of norantipyrine was significantly increased as compared to the control group. In the in vitro study, we found that the content of cytochrome p450, and activities of aminopyrine, N-demethylase, aniline hydroxylase and delta-aminolevulinic acid (ALA) synthetase were significantly increased as compared to the controls in both male and female rats treated with muscone (75 and 150 mg/kg). This type of induction of the hepatic metabolizing enzymes was similar to that seen after treatment with a prototype drug, phenobarbital.

규제 정보

FDA Requirements · 2건

Musk used as spices, seasonings, essential oils, oleoresins, and natural extracts in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Musk/

Certain other spices, seasonings, essential oils, oleoresins, and natural extracts that are generally recognized as safe for their intended use, within the meaning of section 409 of the act. Musk is included on this list. /Musk/

안전 데이터

wgk
WGK 3
tsca
TSCA listed
HS 번호
2914.29.5000
기존화학 물질
KE-23723
스토리지 클래스
10 - Combustible liquids
유해 물질 데이터
541-91-3(Hazardous Substances Data)

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Uses · 3건

Fragrant component of musk; [Merck Index] Used in perfumes and as a flavor ingredient; [HSDB]

FLAVOR INGREDIENT /DL-FORM/

Used in perfumes over a wide range of concns /Aroma chemicals/

U.S. Production2020: 49 lb
Consumer UsesFragrance
Methods of Manufacturing · 4건

INFUSIONS & TINCTURES...PREPD BY ALCOHOLIC EXTRACTION OF MUSK GRAINS. BY CONCENTRATING ALCOHOLIC EXTRACTS...POSSIBLE TO PREPARE A "MUSK RESINOID." TRUE RESINOID IS PREPD BY PETROLEUM ETHER EXTRACTION OF MUSK GRAINS. MUSK ABSOLUTE IS PREPARED BY ALCOHOLIC EXTRACTION FROM RESINOID. /MUSK/

Synthesis of the +/- form: Ziegler, Weber, Ann 512, 164 (1934); Ruzicka, Stoll, Helv Chim Acta 17, 1308 (1934); Hunsdiecker, Ber 75B, 1197 (1942). Recent syntheses: Stork, McDonald, J Am Chem Soc 97, 1264 (1975): H.G. Fliri et al, Monatch Chem 110, 245 (1979); C. Fehr et al., Helv Chim Acta 62, 2655 (1979); K. H. Schulte-Elte et al., ibid 2673; G. Cantoni et al., J Org Chem 45, 1906 (1980).

(Natural) Secretion from preputial follicles of the musk deer. (Synthetic) (1) Ketones and lactones with 15- or 16-carbon rings, structurally resembling the odiferous principles of matural musk, civet, and musky-type plants. Among these are ambrettolide, civetone, muscone, exatolide. (2) Nitrated compounds, usually nitrated tert-butyl-toluenes or xylenes or related compounds.

FROM THE CONDENSATION OF DODECAMETHYLENE-ALPHA,OMEGA-DIMETHYLKETONE HEXADECANE... NATURAL OCCURRENCE: IN NATURAL MUSK. REGULATORY STATUS: FEMA NUMBER 3434. /DL-FORM/

Formulations/Preparations · 1건

THE DRIED, UNOPENED POUCHES OF COMMERCE ARE DISTINGUISHED BY THE FOLLOWING NAMES: TONQUIN, BLUE SKIN, YUNNANN, SAWKO, CABARDIN, NEPAL, & ASSAM. GOOD QUALITY POUCHES CONTAIN APPROX 70% MUSK, WHILE LESS VALUABLE ONES CONTAIN AS LITTLE AS 40% MUSK. /MUSK/

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야

출처Reported found in natural musk

용도Muscone protects PC12 cells against glutamate-induced apoptosis.

제조 방법

From condensation of dodecamethyl-ene-α,ω-dimethylketone hexadecane.

공급사100 곳

北京华美互利生物化工010-56205725 · [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]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Syntechem Co.,Ltd[email protected]

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