네오맨톨

네오맨톨 · (+)-네오멘톨 · FEMA 2666 · (1S,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXANOL · D-NEOMENTHOL · Neomenthol, D- · (+)-neomenthol · Einecs 218-691-4

https://huagongshe.com/ko/chemical/439263

식별자 및 물리적 특성

CAS No.	2216-52-6
분자식	C10H20O
평균 분자량	156.26 g/mol
SMILES	CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O
InChIKey	NOOLISFMXDJSKH-UTLUCORTSA-N
PubChem CID	439263
ChEMBL	CHEMBL1907991
ChEBI	CHEBI:15402
EC No.	207-723-2
DTXSID	DTXSID20883998
현지명	네오맨톨

화학 및 물리적 성질

XLogP	3
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	120
지질	Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
향료	Fragrance Ingredient ((+)-Neomenthol) -> IFRA transparency ListFragrance Ingredient (dl-Neomenthol) -> IFRA transparency List
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	0.904 at 59 °F (NTP, 1992) - Less dense than waterwill float0.901 (20 °C)0.891 (30 °C)0.896-0.903 (20 °C)0.899 g/mL at 25 °C(lit.)
향미제	EU Flavoring substances
용해도	less than 1 mg/mL at 70 °F (NTP, 1992)very soluble in alcohol and volatile oilsslightly soluble in water(in ethanol)insoluble in watersoluble in alcohol and acetone
인화점	196 °F (NTP, 1992)180 °F
끓는 점	421 °F at 760 mmHg (NTP, 1992)95.00 °C. @ 12.00 mm Hg212 °C ((-)-isomer 216.5)211-213 °C95 °C12 mm Hg(lit.)
녹는점	100 °F (NTP, 1992)-22 °C−22 °C(lit.)
증기 밀도	5.4 (NTP, 1992) - Heavier than airwill sink (Relative to Air)
증기압	1 mmHg at 133 °F approximately (NTP, 1992)0.8 mm Hg ( 20 °C)
굴절률	1.4611.459-1.460n20/D 1.461
FEMA	2666 \| (+)-NEOISOMENTHOL
저장 조건	2-8°C
pKa(산도 계수)	15.30±0.60(Predicted)
물리적 상태	투명한 액체
색상	무색 내지 거의 무색
냄새	디프로필렌 글리콜 중 10.00%. 멘톨릭 민트 달콤한
향취 유형	멘톨
용해도	434mg/L at 25℃
BRN	2037488
InChI	1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey	NOOLISFMXDJSKH-UTLUCORTSA-N
SMILES	CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O
LogP(분배 계수)	3.4 at 25℃
EPA	Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)- (2216-52-6)

화학적 성질

d-Neomenthol has a menthol-like odor. It is used in mixtures of menthols as a substitute for l-menthol.

안전 및 규제

GHS 분류	DangerH315 (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.
규제 정보	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/22569Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25394
기타 안전 정보	IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-: Human health tier I assessmentIMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-: Human health tier I assessmentIMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-: Human health tier I assessment
화재 위험	This chemical is combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract. Exposure may also cause hypersensitivity reactions including contact dermatitis, spasms of the glottis and collapse in young children, urticaria, flushing, headache, insomnia, unsteady gait, thick speech, tremor of the hands, mental confusion, depression, vomiting, cramp in the legs and bradycardia. Exposure to compounds of this class may cause painless blanching or erythema, possible corrosion, profuse sweating, intense thirst, nausea, diarrhea, cyanosis from methemoglobinemia, hyperactivity, stupor, blood pressure fall, hyperpnea, abdominal pain, hemolysis, convulsions, coma and pulmonary edema followed by pneumonia. If death from respiratory failure is not immediate, jaundice and oliguria or anuria may occur. These compounds occasionally cause skin sensitization.

용도

개요

d-Neomenthol has a menthol-like odor. It is used in mixtures of menthols as a substitute for ι-menthol.

출처

Reported found in corn mint oil (Mentha arvenis).

용도

(+)-Neomenthol is a reagent used in the preparation of alkyl sulfonyl fluorides.

일반 설명

(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.