기본 정보
- CAS
1074-95-9- 표준 SMILES
CC(C)[C@@H]1CC[C@H](C)CC1=O- InChIKey
NFLGAXVYCFJBMK-IUCAKERBSA-N- 분자식
- C10H18O
- 평균 분자량
- 154.25 g/mol
- 단동위원소 질량
- 154.13576519
개요
(-)-isomenthone is an isomenthone. It is an enantiomer of a (+)-isomenthone.
이름 및 식별자
- 우선 이름
- Isomenthone, (+-)-
- IUPAC
- cis-(2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one
- 현지명
- 이데올로몽
- 영어명
- Isomenthoneextra
- 분자식
- C10H18O
- 분자량
- 154.25
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1074-95-9、18309-28-9、36977-92-1、491-07-6- PubChem CID
- 6432469
- DTXSID
DTXSID501315467- ChEBI
CHEBI:36496- UNII
- 11T7AFM2DS、9WZ3E2G6CL
- EC Number
- 207-727-4、214-049-2、242-194-1、253-295-5
- Nikkaji
- J100.108F
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
- 형식 전하
- 0
- 복잡도
- 149
실험 및 물리화학적 성질
Fragrances
Fragrance Ingredient (d,l-Isomenthone) -> IFRA transparency List
Fragrance Ingredient (dl-Menthone) -> IFRA transparency List
Boiling Point
205.00 to 208.00 °C. @ 760.00 mm Hg
210 °C
물리화학적 성질
- FEMA
- 3460 · 3460 | D,L-ISOMENTHONE
- 색상
- 무색 약간의 유성 액체
- 냄새
- The powerful, refreshing and clean-minty odour of moderate tenacity. Somewhat cooling mouthfeel and a refreshing, minty, but distinctly bitter taste.
- 수용성
- Almost insoluble in water, soluble in alcohol, Propylene glycol, mineral oil and perfume and flavour materials. Very poorly soluble in Glycerin.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 5.3% (87 of 1631) of reports.
Warning
H315 (88.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1631 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-
Regulation (EC) No 1831/2003 (amended)
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-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)
REACH registered substance: (±)-menthone (EC: 214-049-2)
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Flam. Liq. 3 (19.2%)
Skin Irrit. 2 (88.8%)
Skin Irrit. 2 (100%)
Skin irritation - category 2
안전 데이터
- 독성
- The acute dermal LD 5 0 in rabbits was reported as > 5 ml/kg (Levenstein, 1973).
화학 및 산업
약리 정보
용도 및 제조
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Not Known or Reasonably Ascertainable
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel-: ACTIVE
응용 분야
출처d-Isomenthone has been reported to have been isolated from Micromeria abissinica Benth., Pelargonium tomentosum Jacquin and others. /-Isomenthone has been identified in Reunion geranium, Pelargonium capitatum and others (FenaroWs Handbook of Flavor Ingredients, 1971).
용도Isomenthone has very interesting effects in Rose, Carnation, Muguet, Fougeres, Lavender-complexes, etc. The use concentration will normally be about 0.5 to 200, but it may be somewhat higher in Rose and Lavender. The spicy notes in certain types of Men’s fragrances can eliminate the unpleasant sweetness brought about by the conventional Spice and Fougere fixatives.
제조 방법
By hydrogénation of piperitone.
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