기본 정보
- 표준 SMILES
SC1CCCCC1- InChIKey
CMKBCTPCXZNQKX-UHFFFAOYSA-N- 분자식
- C6H12S
- 평균 분자량
- 116.23 g/mol
- 단동위원소 질량
- 116.06597138
개요
Cyclohexanethiol appears as a colorless liquid with a strong disagreeable odor. Insoluble in water and less dense than water. Vapors heavier than air. Flash point near 50 °F.
이름 및 식별자
- 우선 이름
- Cyclohexanethiol
- IUPAC
- cyclohexanethiol
- 현지명
- 시클로헥산티온
- 영어명
- Cyclohexyl mercaptan
- 분자식
- C6H12S
- 분자량
- 116.22
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1569-69-3- PubChem CID
- 15290
- DTXSID
DTXSID2027416- ChEMBL
CHEMBL3187982- UNII
- N8HOD9900V
- EC Number
- 216-378-7
- Nikkaji
- J13.114H
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 46.1
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Thiols
Flammable agents - 2nd degree
Density
0.98 (NIOSH, 2024) - Less dense than water; will float
0.9782 @ 20 °C/4 °C
Relative density (water = 1): 0.98
0.98
Color/Form
Liquid
Colorless liquid.
Solubility
Insoluble (NIOSH, 2024)
SOL IN ALCOHOL, ETHER, ACETONE, BENZENE, CHLOROFORM
Soluble in oxygenated and chlorinated solvents.
Solubility in water: none
Insoluble
Flash Point
110 °F (NIOSH, 2024)
43 °C
110 °F; 43 °C (CLOSED CUP)
43 °C c.c.
110 °F
Boiling Point
316 °F at 760 mmHg (NIOSH, 2024)
158.9 °C @ 760 MM HG
158 °C
316 °F
Melting Point
-181 °F (NIOSH, 2024)
-118 °C
-181 °F
Vapor Density
4.00 (AIR= 1)
Relative vapor density (air = 1): 4.0
Vapor Pressure
10 mmHg (NIOSH, 2024)
10.0 [mmHg]
Vapor pressure, kPa at 20 °C: 1.3
10 mmHg
물리화학적 성질
- 녹는점
- -30 °C · -30 °C
- 끓는 점
- 158 · 158-160 °C (lit.)
- 밀도
- 0.95 g/mL · 0.95 g/mL at 25 °C (lit.)
- 증기 밀도
- 4 · 4 (vs air)
- 증기압
- 10.3 mm · 10.3 mm Hg ( 37.7 °C)
- 굴절률
- 20 · n20/D 1.493(lit.)
- 인화점
- 110 °F · 110 °F
- 저장 조건
- Flammables area
- 용해도
- 불용성
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 10.96 · 10.96±0.20(Predicted)
- 색상
- 무색 내지 거의 무색
- 냄새
- 유황의
- 폭발한계
- 1.1 % · 1.1%(V)
- 수용성
- 불용성
- 비열
- 1.66 J/ · Cp(liquid): 1.66 J/(g·K), at 25℃
- BRN
- 1236342 · 1236342
- InChI
- 1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
- InChIKey
- CMKBCTPCXZNQKX-UHFFFAOYSA-N
- SMILES
- SC1CCCCC1
- LogP
- 3.05 · 3.05-3.7 at 35℃
- NIST
- Cyclohexanethiol(1569-69-3)
- EPA
- Cyclohexanethiol (1569-69-3)
화학적 성질
CLEAR LIQUID
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Cyclohexanethiol
Status: Active Update: 17-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11526
Cyclohexanethiol: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Flammable. Above 43 °C explosive vapour/air mixtures may be formed.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
· May cause toxic effects if inhaled or absorbed through skin.
DOT ID and Guide
3054 129
3054 129
3054 129
안전 및 보호
Fire Fighting
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Use foam, carbon dioxide, powder. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest. Refer for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from NIOSH Pocket Guide for Cyclohexanethiol:
General First Aid:
General First Aid:
(General first aid procedures)
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
· Wear positive pressure self-contained breathing apparatus (SCBA).
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Spillage Disposal
Personal protection: self-contained breathing apparatus. 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.
Preventive Measures
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
Immediate precautionary measure
독성 정보
Exposure Routes
The substance can be absorbed into the body by inhalation and by ingestion.
inhalation, skin absorption, ingestion, skin and/or eye contact
Signs and Symptoms
Cough. Dizziness. Headache. Nausea. Drowsiness. Vomiting. Weakness. Unconsciousness.
Redness. Pain.
Redness. Pain.
See Inhalation.
irritation eyes, skin, respiratory system; headache, dizziness, lassitude (weakness, exhaustion), nausea, vomiting, convulsions; cough, wheezing, laryngitis, dyspnea (breathing difficulty)
안전 데이터
- OEL
- Ceiling: 0.5 ppm (2.4 mg/m3) [15-minute]
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GV7525000
- ridadr
- UN 3054
- HS 번호
- 29309070
- risk_code
- 10-20/22-51/53-36/37/38
- hazard_code
- Xn,F,Xi,N
- safety_code
- 36/37/39-57-37/39-26-16
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- 97-3-81
- 위험 참고 사항
- Irritant/Flammable/Stench/Air Sensitive
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1
- 스토리지 클래스
- 3 - Flammable liquids
- 유해 물질 데이터
- 1569-69-3(Hazardous Substances Data)
화학 및 산업
용도 및 제조
응용 분야
일반 설명A colorless liquid with a strong disagreeable odor. Insoluble in water and less dense than water. Vapors heavier than air. Flash point near 50°F.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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