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메틸시클로헥산올(2-)

2-Methylcyclohexanol

HCID 11418
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
19043-02-8
표준 SMILES
CC1CCCCC1O
InChIKey
NDVWOBYBJYUSMF-UHFFFAOYSA-N
분자식
C7H14O
평균 분자량
114.19 g/mol
단동위원소 질량
114.10446507

개요

Straw-colored liquid with a weak odor of coconut oil. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)

이름 및 식별자

우선 이름
2-Methylcyclohexanol
IUPAC
2-methylcyclohexan-1-ol
현지명
메틸시클로헥산올(2-)
영어명
2-Methylcyclohexanol
분자식
C7H14O
분자량
114.19

이름 및 동의어

2-METHYLCYCLOHEXANOL583-59-52-methylcyclohexan-1-olCyclohexanol, 2-methyl-o-Methylcyclohexanol1-Methyl-2-cyclohexanol2-Methyl-1-cyclohexanol2-Methylcyclohexyl alcoholCyclohexanol, o-methyl-Hexahydro-o-cresolMFCD00001443NSC 75845
이름 더 보기
2-메틸사이클로헥산올o-메틸시클로헥사놀메틸시클로헥산올(2-)2-metilcicloesanoneo-methyl-cyclohexano2-methyl-cyclohexano
(1R, 2S)-2-Methylcyclohexanol615-39-42-Methylhexalin19043-02-82-Methyl-cyclohexanolEINECS 209-512-0(1R,2S)-2-methylcyclohexanolBRN 1847535

데이터베이스 식별자

CAS
19043-02-8、583-59-5、615-39-4、7443-52-9、7443-70-1
PubChem CID
11418
DTXSID
DTXSID90862235
ChEMBL
CHEMBL1946181
EC Number
803-382-4
Nikkaji
J3.300F

물성

구조 계산 물성

XLogP
1.8
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
8
형식 전하
0
복잡도
70.8

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point
LogP1.84
Density · 2건

0.93 (USCG, 1999) - Less dense than water; will float

Relative density (water = 1): 0.93

SolubilitySolubility in water: poor
Flash Point · 2건

138 °F (USCG, 1999)

58 °C c.c.

Boiling Point · 2건

325.4 to 330.8 °F at 760 mmHg (USCG, 1999)

165-166 °C

Melting Point · 2건

less than -6 °F (USCG, 1999)

-9.5 °C

Vapor DensityRelative vapor density (air = 1): 3.9
Physical Description · 2건

Straw-colored liquid with a weak odor of coconut oil. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)

COLOURLESS VISCOUS LIQUID WITH CHARACTERISTIC ODOUR.

Autoignition Temperature · 2건

565 °F (USCG, 1999)

296 °C

물리화학적 성질

녹는점
-38 °C · -38 °C
끓는 점
171 · 171-173 °C(lit.)
밀도
0.93 g/mL · 0.93 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.463
인화점
138 °F · 138 °F
물리적 상태
액체
산도 계수 (pKa)
15.33 · 15.33±0.40(Predicted)
Specific Gravity
0.93 · 0.930 (20/4℃)
색상
무색의
냄새
100 · 100.00?%. 순한 코코넛 오일
수용성
약간 용해됨
BRN
1847535 · 1847535
Henry's Law Constant
1.4 · 1.4×100 mol/(m3Pa) at 25℃, Chao et al. (2017)
Dielectric constant
13.5 · 13.5
안정성
안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI
1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3
InChIKey
NDVWOBYBJYUSMF-UHFFFAOYSA-N
SMILES
CC1CCCCC1O
LogP
1.818 · 1.818 (est)
NIST
2 · Cyclohexanol, 2-methyl-(583-59-5)
EPA
2 · Cyclohexanol, 2-methyl- (583-59-5)

화학적 성질

colourless viscous liquid with an aromatic odour. Less dense than water and insoluble in water. Hence floats on water.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

유해성 정보

Regulatory Information · 2건

Chemical: Cyclohexanol, 2-methyl-

2-Methylcyclohexanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
DOT LabelFlammable Liquid
Fire Hazards · 2건

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon monoxide, may be formed when involved in fire. (USCG, 1999)

Flammable. Above 58 °C explosive vapour/air mixtures may be formed.

Health HazardsMay cause headache and irritation of the eyes, nose and throat. Prolonged or repeated contact may cause a skin rash. (USCG, 1999)
Reactive GroupAlcohols and Polyols
EC ClassificationSymbol: Xn; R: 20; S: (2)-24/25; Note: C
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Reactivity Profile · 1건

2-METHYLCYCLOHEXANOL is an alcohol. Flammable and/or toxic gases are generated by the combination of these materials with alkali metals, nitrides, and strong reducing agents. Contact with strong oxidizers may cause fires and explosions. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. They exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon monoxide, may be formed when involved in fire (USCG, 1999).

Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories · 2건

Flam. Liq. 3 (100%)

Flammable liquids - Category 3

안전 및 보호

Fire Fighting · 2건

Fire Extinguishing Agents Not to Be Used: Water.

Use AFFF, alcohol-resistant foam, dry powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4건

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Refer for medical attention .

First AidGet medical attention.
Safe StorageFireproof.
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Spillage Disposal · 1건

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Isolation and EvacuationExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Eye PreventionWear safety spectacles.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 58 °C use a closed system and ventilation.
Inhalation RiskA harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.

독성 정보

Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Signs and Symptoms · 3건

Cough. Headache.

Redness.

Redness.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
GW0220000
ridadr
UN 2617 3/PG 3
HS 번호
29061200
risk_code
20-36-20/22
hazard_code
Xn
safety_code
24/25
포장분류
III
위험 등급
3
기존화학 물질
KE-23697
Hazard Classifications
Acute Tox. 4 OralFlam. Liq. 3
스토리지 클래스
3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationCyclohexanol, 2-methyl-: ACTIVE

응용 분야

용도2-Methylcyclohexanol is used in the preparation of acetic acid-(2-methyl-cyclohexyl ester) by reaction with acetic anhydride. Further, it is used to study the effect of organic solvents on epoxide hydrolase.

상·하류 제품 정보

하류 제품

1-메틸사이클로헥산-1-카르복실 산2-메틸사이클로헥사논세미카바존

공급사48 곳

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
海济医药科技(苏州)有限公司18012778619 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
湖南华腾制药有限公司400-8592883 15367835770 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海傲广生物科技有限公司1735-4997695 17715859063 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
武汉弘德悦欣医药科技有限公司027-83850116 18164090116 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
湖北诺纳科技有限公司027-59209883 17386138556 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
Aladdin Scientific[email protected]
江苏清泉化学股份有限公司0571-86589382 57186589381 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
山东百哲新材料有限公司13375512898 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
湖北鸿运隆生物科技有限公司13554337556 13554337556 · [email protected]
武汉青衫合源生物科技有限公司027-18327024450 18327024450 · [email protected]
湖北诺纳科技有限公司027-59209883 17386169806 · [email protected]
Zhengzhou Lingzhiyue Technology Co., Ltd+86-0371-55074660 +86-13523716970 · [email protected]
湖南长炼新材料科技股份公司18216365595 18216365595 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
武汉裕清嘉衡药业有限公司027-83855312 17771813295 13377865312 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
美特(湖北)新材料有限责任公司13517221830; 13517221830 · [email protected]

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HRID 1136559 반응식
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