기본 정보
- 표준 SMILES
CC1CCC(C(C)C)CC1- InChIKey
CFJYNSNXFXLKNS-UHFFFAOYSA-N- 분자식
- C10H20
- 평균 분자량
- 140.27 g/mol
- 단동위원소 질량
- 140.15650064
개요
P-menthane is a clear liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 1-Methyl-4-isopropylcyclohexane
- IUPAC
- 1-methyl-4-propan-2-ylcyclohexane
- 현지명
- P-멘테인
- 영어명
- p-Menthane
- 분자식
- C10H20
- 분자량
- 140.27
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1329-99-3、1678-82-6、34448-33-4、6069-98-3、99-82-1- PubChem CID
- 7459
- DTXSID
DTXSID9025530- ChEBI
CHEBI:25826- UNII
- CGW5GN8TXU
- EC Number
- 202-790-4、252-034-2、679-820-1、679-821-7、951-486-4、951-489-0
- Nikkaji
- J124.993B、J130.647B、J3.997G
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 86.2
실험 및 물리화학적 성질
Solvents
Solvents -> Aliphatics, Saturated (<C12)
Solvents -> Aliphatics, Saturated (<C12)
Solubility
less than 1 mg/mL at 70 °F (NTP, 1992)
INSOL IN WATER; SOL IN BENZENE, PETROLEUM ETHER; VERY SOL IN ALCOHOL, ETHER
0.00028 mg/mL at 25 °C
Boiling Point
170.9 °C AT 725 MM HG
170.00 to 171.00 °C. @ 760.00 mm Hg
Melting Point
-89.84 °C
-87.6 °C
Physical Description
P-menthane is a clear liquid. (NTP, 1992)
Liquid
Clear liquid; [CAMEO] Nearly colorless liquid with a pine-like odor; [MSDSonline]
Liquid
물리화학적 성질
- 녹는점
- -87.6 ℃ · -87.6℃
- 끓는 점
- 171 · 171.0-171.7℃
- 밀도
- 0.797 · 0.7970
- 증기압
- 3.52 hPa · 3.52hPa at 25℃
- 굴절률
- 1.45562 · 1.45562 (589.3 nm 22℃)
- 저장 조건
- Store at room temperature
- 용해도
- Insoluble in water, soluble in alcohol and oils. Poorly soluble in diluted alcohol.
- 물리적 상태
- Colorless moblile liquid.
- 냄새
- 소나무
- 수용성
- 620 μg/L · 620μg/L at 20℃
- Henry's Law Constant
- 5.6 · 5.6×10-6 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- 안정성
- 안정적인. 가연성 - 공기와 폭발성 혼합물을 형성할 수 있습니다. 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3
- InChIKey
- CFJYNSNXFXLKNS-UHFFFAOYSA-N
- SMILES
- C1(C)CCC(C(C)C)CC1
- LogP
- 5.6 at · 5.6 at 25℃
- EPA
- p-Menthane (99-82-1)
화학적 성질
p-Menthane is a colorless liquid with a fragrant fennel-like odor. It occurs naturally, especially in exudates of Eucalyptus fruits. The compound is generally encountered as a mixture of the cis and trans isomers, which have very similar properties.
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 269 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
유해성 정보
Regulatory Information
Chemical: Cyclohexane, 1-methyl-4-(1-methylethyl)-
Cyclohexane, 1-methyl-4-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexane, 1-methyl-4-(1-methylethyl)- 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: 12-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12773
Hazards Summary
A mild eye irritant; [MSDSonline] See Methylcyclohexane.
See Cyclohexane.
Reactivity Profile
Saturated aliphatic hydrocarbons, such as P-MENTHANE, may be incompatible with strong oxidizing agents like nitric acid. Charring of the hydrocarbon may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. When heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents, they burn exothermically to produce carbon dioxide and water.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Flammable liquids - Category 3
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: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong 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)
독성 정보
Adverse Effects
Neurotoxin - Acute solvent syndrome
Neurotoxin - Acute solvent syndrome
안전 데이터
- tsca
- TSCA listed
- ridadr
- 3295
- risk_code
- 11
- safety_code
- 9-16-26-33
- 기존화학 물질
- KE-21718
- 유해 물질 데이터
- 99-82-1(Hazardous Substances Data)
화학 및 산업
약리 정보
용도 및 제조
General Manufacturing Information
Adhesive Manufacturing
Cyclohexane, 1-methyl-4-(1-methylethyl)-: ACTIVE
Cyclohexane, 1-methyl-4-(1-methylethyl)-, trans-: ACTIVE
Cyclohexane, 1-methyl-4-(1-methylethyl)-, cis-: ACTIVE
응용 분야
일반 설명Clear liquid.
상·하류 제품 정보
상류 원료
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