기본 정보
- CAS
20752-34-5- 표준 SMILES
CC(C)[C@H]1CC[C@@H](C)C[C@H]1O- InChIKey
NOOLISFMXDJSKH-OPRDCNLKSA-N- 분자식
- C10H20O
- 평균 분자량
- 156.26 g/mol
개요
D,l-menthol is a white crystalline solid with a peppermint odor and taste. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Neoisomenthol
- IUPAC
- (1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
- 영어명
- (1R,2R,5R)-2-Isopropyl-5-methyl-cyclohexanol
- 분자식
- C10H20O
- 분자량
- 156.27
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
20752-34-5、491-02-1、89-78-1- PubChem CID
- 19244
- DTXSID
DTXSID801357335- ChEBI
CHEBI:18451- UNII
- 90E7IB31QH
- EC Number
- 207-724-8
- Nikkaji
- J238.499J
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 120
실험 및 물리화학적 성질
Density
0.904 at 59 °F (NTP, 1992) - Less dense than water; will float
0.901 (20 °C); 0.891 (30 °C)
Solubility
less than 1 mg/mL at 70 °F (NTP, 1992)
very soluble in alcohol and volatile oils; slightly soluble in water
(in ethanol)
Boiling Point
421 °F at 760 mmHg (NTP, 1992)
212 °C ((-)-isomer 216.5)
Melting Point
100 °F (NTP, 1992)
-8 °C
Physical Description
D,l-menthol is a white crystalline solid with a peppermint odor and taste. (NTP, 1992)
Other Solid; Liquid
Liquid
colourless, hexagonal crystals, usually needle-like; fused masses or crystalline powder with a pleasant, peppermint-like odour
물리화학적 성질
- 끓는 점
- 94 · 94-95.5 °C(Press: 14 Torr)
- 밀도
- 0.89 · 0.890±0.06 g/cm3(Predicted)
- FEMA
- 2666 · 2666 | (+)-NEOISOMENTHOL
- 저장 조건
- Room Temperature, under inert atmosphere
- 용해도
- 클로로포름, 시클로헥산, 에탄올, 에테르, 메탄올에 용해됨
- 산도 계수 (pKa)
- 15.3 · 15.30±0.60(Predicted)
- 물리적 상태
- 기름
- 색상
- 무색의
- JECFA Number
- 428 · 428
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 151 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-
Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.alpha.,5.alpha.)]-
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)
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-: Does not have an individual approval but may be used under an appropriate group standard
Racementhol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.alpha.,5.alpha.)]-: Human health tier I assessment
IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-: Human health tier I assessment
Health Hazards
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.
Reactivity Profile
D,L-MENTHOL is incompatible with butyl chloral hydrate, camphor, phenol, chloral hydrate, Exalgine, betanaphthol, resorcinol or thymol in triturations; potassium permanganate, chromium trioxide and pyrogallol. It is also incompatible with strong oxidizers. (NTP, 1992)
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
화학 및 산업
약리 정보
용도 및 제조
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-: ACTIVE
응용 분야
용도(1R,2R,5R)-2-Isopropyl-5-methylcyclohexanol is used in the tetrahydropyranylation of alcohols.
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