(+)-ネオメントール
(+)-Neomenthol
基本情報
- CAS
2216-52-6- 標準SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O- InChIKey
NOOLISFMXDJSKH-UTLUCORTSA-N- 分子式
- C10H20O
- 平均分子量
- 156.26 g/mol
概要
D,l-menthol is a white crystalline solid with a peppermint odor and taste. (NTP, 1992)
名称と識別子
- 優先名称
- (+)-Neomenthol
- IUPAC
- (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
- 現地名
- (+)-ネオメントール
- 英語名
- (+)-NEOMENTHOL
- 分子式
- C10H20O
- 分子量
- 156.27
名称と別名
(+)-Neomenthol2216-52-6d-NeomentholNeomenthol, (+)-(1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol42RE7MA7PAMenthol, (1R,3S,4S)-(+)-FEMA No. 2666DTXSID9044326CHEBI:15402(+) Neomenthol
名称をさらに表示
(+)-ネオメントール5β-メチル-2α-(1-メチルエチル)シクロヘキサン-1α-オール2α-イソプロピル-5β-メチルシクロヘキサン-1α-オール(1S,2S,5R)-2-イソプロピル-5-メチルシクロヘキサノール(1R)-5α-メチル-2β-(1-メチルエチル)シクロヘキサン-1β-オール(1R)-2β-イソプロピル-5α-メチルシクロヘキサン-1β-オール(1R)-2β-イソプロピル-5α-メチル-1β-シクロヘキサノール(+)-neo-メントール(1R,3S,4S)-p-メンタン-3-オール(1S)-5β-メチル-2α-(1-メチルエチル)シクロヘキサン-1α-オール(1R,3S,4S)-p-メンタン-3α-オール(1S,2S,5R)-2-イソプロピル-5-メチル-1-シクロヘキサノール(1R,2R,5S)-2-イソプロピル-5-メチル-1-シクロヘキサノール(1R,2R,5S)-2-イソプロピル-5-メチルシクロヘキサノール5α-メチル-2β-(1-メチルエチル)シクロヘキサン-1β-オール(1S)-2α-イソプロピル-5β-メチルシクロヘキサン-1α-オール5β-メチル-2α-イソプロピルシクロヘキサン-1α-オール(-)-ネオメントールネオメントール, (+)-(1S,2S,5R)-(+)-ネオメントールFEMA 2666Einecs 218-691-4(+)-Neomenthol>dextro-neomentholD-NEOMENTHOL 99+%
RefChem:1048979DTXCID7024326218-691-4(1S,2S,5R)-2-Isopropyl-5-methylcyclohexanoldl-Neomenthol3623-51-6NeomentholNeomenthol, D-
データベース識別子
- CAS
2216-52-6、3623-51-6、491-01-0、89-78-1- PubChem CID
- 439263
- DTXSID
DTXSID20883998- ChEMBL
CHEMBL1907991- ChEBI
CHEBI:15402- UNII
- 42RE7MA7PA、89S3KO7RR9
- EC Number
- 207-723-2、218-691-4、222-824-1
- Nikkaji
- J215.948A
物性
構造計算による物性
- XLogP
- 3
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 120
実験および物理化学的性質
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Fragrances
Fragrance Ingredient ((+)-Neomenthol) -> IFRA transparency List
Fragrance Ingredient (dl-Neomenthol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.904 at 59 °F (NTP, 1992) - Less dense than water; will float
0.901 (20 °C); 0.891 (30 °C)
0.896-0.903 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
less than 1 mg/mL at 70 °F (NTP, 1992)
very soluble in alcohol and volatile oils; slightly soluble in water
(in ethanol)
insoluble in water; soluble in alcohol and acetone
(in ethanol)
Flash Point196 °F (NTP, 1992)
Boiling Point
421 °F at 760 mmHg (NTP, 1992)
95.00 °C. @ 12.00 mm Hg
212 °C ((-)-isomer 216.5)
211-213 °C
Melting Point
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。
GHS分類
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 248 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
危険有害性情報
Regulatory Information
Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-
Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-
Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (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)-, (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)
Status: Active Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22569
Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25394
Other Safety Information
IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-: Human health tier I assessment
IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-: Human health tier I assessment
IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-: Human health tier I assessment
Fire HazardsThis chemical is combustible. (NTP, 1992)
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesFragrance
Industry UsesOdor agents
Household ProductsInformation on 35 consumer products that contain Menthol (Racementhol) in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-: ACTIVE
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-: ACTIVE
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-: ACTIVE
応用分野
説明d-Neomenthol has a menthol-like odor. It is used in mixtures of menthols as a substitute for ι-menthol.
天然物の起源Reported found in corn mint oil (Mentha arvenis).
使用(+)-Neomenthol is a reagent used in the preparation of alkyl sulfonyl fluorides.
一般的な説明(1S,2S,5R)-(+)-Neomenthol is a monoterpenoid compound found in the peppermint herb, Mentha piperita L. This menthol isomer is generally used as an additive in oral hygiene products and as a flavoring agent in food and beverages.
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