1-ヘプタンチオール

1-Heptanethiol

HCID 15422CAS 1639-09-4

基本情報

標準SMILES
CCCCCCCS
InChIKey
VPIAKHNXCOTPAY-UHFFFAOYSA-N
分子式
C7H16S
平均分子量
132.27 g/mol
単同位体質量
132.09727168

名称と識別子

優先名称
1-Heptanethiol
IUPAC
heptane-1-thiol
現地名
1-ヘプタンチオール
英語名
1-Heptanethiol
分子式
C7H16S
分子量
132.27

名称と別名

1-HEPTANETHIOLheptane-1-thiolHeptyl mercaptann-HeptylmercaptanHeptylthiolHeptyl thiol1-heptylthioln-HEPTYL MERCAPTANUSAF EK-2122UNII-380ZE61GR2Normal-heptyl mercaptanBRN 1731687
名称をさらに表示
1-ヘプタンチオールヘプチルチオールn-ヘプチルメルカプタンヘプタン-1-チオールヘプチルメルカプタンHeptanethiolusafek-2122HEPTANTHIOLMERCAPTAN C7n-heptylthiol1-heptanthiolN-heptanthiol
380ZE61GR2EINECS 216-678-8NSC 71119FEMA NO. 4259HEPTANE-1-THIOL [FHFI]NSC-71119DTXSID30618414-01-00-01738 (Beilstein Handbook Reference)

データベース識別子

CAS
1639-09-4
PubChem CID
15422
DTXSID
DTXSID3061841
ChEBI
CHEBI:169461
UNII
380ZE61GR2
EC Number
216-678-8
Nikkaji
J21.665H

物性

構造計算による物性

XLogP
3.9
極性表面積
1 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
5
重原子数
8

実験および物理化学的性質

LogP3.7
Density · 4 件

0.84 (NIOSH, 2024) - Less dense than water; will float

Relative density (water = 1): 0.84

0.840-0.846

0.84

Viscosity1.24 cP at 20 °C
Solubility · 6 件

Insoluble (NIOSH, 2024)

0.00926 mg/mL at 20 °C

Solubility in water: very poor

Practically insoluble or insoluble in water

Soluble (in ethanol)

Insoluble

Flash Point · 4 件

115 °F (NIOSH, 2024)

46 °C

46 °C c.c.

115 °F

Boiling Point · 5 件

351 °F at 760 mmHg (NIOSH, 2024)

175.00 °C. @ 765.00 mm Hg

176 °C

175-176 °C

351 °F

物理化学的性質

融点
-43 °C · -43°C
沸点
173 · 173-176 °C/765 mmHg (lit.)
比重(密度)
0.844 g/mL · 0.844 g/mL at 25 °C (lit.)
蒸気圧
1.5 hPa · 1.5 hPa ( 25 °C)
屈折率
20 · n20/D 1.4505(lit.)
FEMA
4259 · 4259 | HEPTANE-1-THIOL

化学的性質

化学的特性1-Heptanethiol is a flammable, colorless liquid with a strong odor.

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H315 (14.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 156 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1-Heptanethiol

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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.)

DOT LabelFlammable Liquid Poison
Fire Hazards · 2 件

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.) Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion and poison hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024)

Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 46 °C explosive vapour/air mixtures may be formed.

Health Hazards · 1 件

Excerpt from NIOSH Pocket Guide for 1-Heptanethiol:;Exposure Routes: Inhalation, ingestion, skin and/or eye contact;Symptoms: Irritation eyes, skin, nose, throat; lassitude (weakness, exhaustion), cyanosis, increased respiration, nausea, drowsiness, headache, vomiting;Target Organs: Eyes, skin, respiratory system, central nervous system, blood (NIOSH, 2024)

Hazards SummarySee THIOLS;
DOT ID and Guide1228 131

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.).;SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam.;LARGE FIRE: Water spray, fog or alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal. Avoid aiming straight or solid streams directly onto the product.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

Use water spray, powder, alcohol-resistant foam, carbon dioxide.

First Aid Measures · 4 件

Fresh air, rest.

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.

Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .

First Aid · 2 件

Excerpt from NIOSH Pocket Guide for 1-Heptanethiol:;Eye: IRRIGATE IMMEDIATELY - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.;Skin: SOAP WASH - If this chemical contacts the skin, wash the contaminated skin with soap and water.;Breathing: RESPIRATORY SUPPORT - If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform artificial respiration. Keep the affected person warm and at rest. Get medical attention as soon as possible.;Swallow: MEDICAL ATTENTION IMMEDIATELY - If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2024)

(General first aid procedures);Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.;Skin: Soap wash - If this chemical contacts the skin, wash the contaminated skin with soap and water.;Breathing: Respiratory support;Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.

Safe StorageFireproof. Separated from strong oxidants, strong bases and strong acids.
Nonfire Spill Response · 1 件

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors.;SMALL SPILL: Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal. Use clean, non-sparking tools to collect absorbed material.;LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

Spillage Disposal · 1 件

Remove all ignition sources. Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. 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. Do NOT wash away into sewer.

毒性情報

Target OrgansEyes, skin, respiratory system, central nervous system, blood
Adverse EffectsOther Poison - Chemical Asphyxiant
Exposure Routes · 2 件

The substance can be absorbed into the body by inhalation and by ingestion.

inhalation, ingestion, skin and/or eye contact

Signs and Symptoms · 5 件

Dizziness. Drowsiness. Headache. Nausea.

Redness. Pain.

Redness. Pain.

See Inhalation.

irritation eyes, skin, nose, throat; lassitude (weakness, exhaustion), cyanosis, increased respiration, nausea, drowsiness, headache, vomiting

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.

法規制情報

Regulatory Information · 3 件

Chemical: 1-Heptanethiol

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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.)

安全データ

F
9-13-23
OEL
Ceiling: 0.5 ppm (2.7 mg/m3) [15-minute]
wgk
3
tsca
TSCA listed
rtecs
MJ1400000
ridadr
UN 3336 3/PG 3

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use Classification · 3 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information1-Heptanethiol: ACTIVE

応用分野

用途有機合成原料、香料材料。

一般的な説明Colorless liquid with a strong unpleasant odor. Mp: -41.3°C; bp: 177°C. Density: 0.84 g cm-3. Insoluble in water.

上流・下流製品情報

サプライヤー50 社

三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

関連反応

20 件

関連ノート

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