基本情報
- CAS
5157-89-1- 標準SMILES
CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C- InChIKey
XHXUANMFYXWVNG-WCQGTBRESA-N- 分子式
- C12H22O2
- 平均分子量
- 198.3 g/mol
- 単同位体質量
- 198.16197994
概要
menthyl acetate has been reported in Minthostachys mollis, Origanum cordifolium, and other organisms with data available.
名称と識別子
- 優先名称
- (+)-Menthyl acetate
- IUPAC
- [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate
- 現地名
- 酢酸(+)-メンチル
- 英語名
- (1S)-(+)-MENTHYL ACETATE
- 分子式
- C12H22O2
- 分子量
- 198.3
名称と別名
5157-89-1(+)-menthyl acetateDTXSID701026539RefChem:1048972DTXCID401510705(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl acetate(1S)-(+)-Menthyl acetatementhol acetateMFCD00062977[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate(dl)-Menthyl acetate(+-)-Menthol acetate
名称をさらに表示
酢酸(+)-メンチル(+)-アセトキシ-p-メンタン(+)-(1S)-MENTHYL ACETATE(1S)-(+)-Menthyl acetate 99%(+)-(1S)-MENTHYL ACETATE, TERPENE STANDA RD2-Isopropyl-5-methylcyclohexyl (1S,2R,5S)-AcetateCyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1S,2R,5S)-
(+-)-Menthyl acetate(.+/-.)-Menthol acetateCYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, ACETATE, (1.ALPHA.,2.BETA.,5.ALPHA.)-(+)-Acetoxy-p-menthaneDL-p-Menth-3-yl acetateSCHEMBL891570orb19411742-Isopropyl-5-methylcyclohexyl acetate, (1.alpha.,2.beta.,5.alpha.)-
データベース識別子
- CAS
5157-89-1、89-48-5- PubChem CID
- 62335
- DTXSID
DTXSID701026539- Nikkaji
- J209.374J
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 198
実験および物理化学的性質
CosmeticsRefreshing; Masking
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (Menthyl acetate (1alpha,2beta,5alpha)) -> IFRA transparency List
Boiling Point228.00 to 229.00 °C. @ 760.00 mm Hg
Melting Point228 - 229 °C
Physical Description
Liquid
Solid
物理化学的性質
- 融点
- 25 °C · <25 °C
- 沸点
- 228 · 228-229 °C (lit.)
- 比重(密度)
- 0.925 g/mL · 0.925 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.446(lit.)
- 闪点
- 198 °F · 198 °F
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 外見
- liquid
- 色
- Colorless to Almost colorless
- BRN
- 1909419 · 1909419
- InChI
- 1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m0/s1
- InChIKey
- XHXUANMFYXWVNG-WCQGTBRESA-N
- SMILES
- CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(C)=O
- CAS データベース
- 5157 · 5157-89-1
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
Regulatory Information
Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,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)
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-rel-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-: Human health tier I assessment
安全データ
- wgk
- 3
- hs_code
- 2915.39.9000
- 消防法
- 危-4-3-III
- safety_code
- 24/25
- ストレージクラス
- 10 - Combustible liquids
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
U.S. Production2023: 10,342 lb
Consumer UsesFragrance
Industry UsesFragrance
Use Classification
Fragrance Ingredients
Cosmetics -> Refreshing; Masking
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-: ACTIVE
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