2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-on
p-Mentha-8-thiol-3-one
Grundinformationen
- CAS
33281-91-3- Standard-SMILES
CC1CCC(C(C)(C)S)C(=O)C1- InChIKey
RVOKNSFEAOYULQ-UHFFFAOYSA-N- Summenformel
- C10H18OS
- Durchschnittliche Molmasse
- 186,32 g/mol
- Monoisotopische Masse
- 186,10783637
Überblick
8-Mercapto-p-menthan-3-one is a p-menthane monoterpenoid.
Namen und Bezeichner
- Bevorzugter Name
- p-Mentha-8-thiol-3-one
- IUPAC
- 5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
- Lokaler Name
- 2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-on
- Englischer Name
- p-Mentha-8-thiol-3-one
- Summenformel
- C10H18OS
- Molmasse
- 186.31
Namen und Synonyme
p-Mentha-8-thiol-3-one38462-22-58-Mercapto-p-menthan-3-onebuchu mercaptan8-Mercapto-p-menthane-3-one5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanoneCyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-FEMA No. 3177DTXSID2047195p-Mentha-8-thiol-3-one (natural)MANGONE
Weitere Namen anzeigen
THIOMENTHONEFEMA 31778-MERCAPTOMENTHONERIBES MERCAPTAN8- thiol8-mercaptomethone
2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-oneEINECS 253-953-19BM9FFW27EDTXCID0027195RefChem:8581068-Mercapato-p-menthane-3-oneP-MENTHA-8-THIOL-3-ONE [FHFI](+-)-P-MENTHA-8-THIOL-3-ONE
Datenbank-Bezeichner
- CAS
33281-91-3、33284-96-7、35117-85-2、38462-22-5- PubChem CID
- 61982
- DTXSID
DTXSID2047195- ChEMBL
CHEMBL3183829- ChEBI
CHEBI:173523- EC Number
- 253-953-1
- Nikkaji
- J294.669F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 18,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 186
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (p-Mentha-8-thiol-3-one) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.995-1.010
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water soluble in alcohol
(in ethanol)
Boiling Point
56.00 to 62.00 °C. @ 0.10 mm Hg
120 °C (10 mm Hg)
Refractive Index1.492-1.509
Physical Descriptioncolourless to yellow brown liquid
Physikochemische Eigenschaften
- Siedepunkt
- 56 °C0.1 · 56 °C0.1 mm Hg(lit.)
- Dichte
- 1 g/mL · 1 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.495(lit.)
- FEMA
- 3177 · 3177 | P-MENTHA-8-THIOL-3-ONE
- Flammpunkt
- 227 °F · 227 °F
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 10.56 · 10.56±0.10(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Clear yellow to dark yellow
- Geruch (Odor)
- 1 % · at 1.00 % in dipropylene glycol. sulfury minty green fruity berry buchu fruity tropical peach
- Geruchsart
- sulfurous
- Biologische Quelle
- synthetic
- JECFA Number
- 561 · 561
- Major Application
- flavors and fragrances
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- InChI
- 1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3
- InChIKey
- RVOKNSFEAOYULQ-UHFFFAOYSA-N
- SMILES
- CC1CCC(C(=O)C1)C(C)(C)S
- LogP
- 2.624 · 2.624 (est)
- EPA chemische Informationen
- 2 · Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl- (38462-22-5)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.6% (40 of 1550) of reports.
Warning
H317 (94.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1550 reports by companies from 10 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-
Regulation (EC) No 1831/2003 (amended)
Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1 (94.5%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29309090
- risk_code
- 22-50
- hazard_code
- Xn,N
- safety_code
- 60-61
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Skin Sens. 1
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
Household ProductsInformation on 2 consumer products that contain Mercaptoisopropyl-5-Methylcyclohexanone in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationCyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-: ACTIVE
Anwendungen
BeschreibungP-Menthα-8-thiol-3-one has a black-currant flavor. May be prepared by reaction of pulegone or isopulegone with hydrogen sulfide excess and ethanolic potassium hydroxide.
OccurrenceReported found in buchu oil.
Darstellung
synthetischeBy reaction of pulegone or isopulegone with hydrogen sulfide excess and ethanolic potassium hydroxide.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江西林缘香料有限公司13879661494 13879661494
Cangzhou Wanyou New Material Technology Co.,Ltd18631714998 · [email protected]
石家庄利达化学品有限公司+86 (311) 8573-7996 · [email protected]
吉良化学21-62165282 · [email protected]
石家庄和中科技有限公司0311-83350868 13180062532 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
石家庄通洋进出口有限公司[email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
武汉鑫儒化工有限公司15927387915 15337108568
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
南京熙朗化工产品有限公司18936048580 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
BOC Sciences[email protected]
武汉曙欧科技有限公司17792809151;18872220797 · [email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…