7-Octyn-1-ol (HCID 70100)

名称と識別子

優先名称: 7-Octyn-1-ol
IUPAC: oct-7-yn-1-ol
現地名: 7-オクチン-1-オール
英語名: 7-OCTYN-1-OL
分子式: C8H14O
分子量: 126.2

名称と別名

7-Octyn-1-ol871-91-0DTXSID6061234RefChem:106495DTXCID4048567844-109-9oct-7-yn-1-ol8-hydroxy-1-octyneMFCD016321377-octyne-1-ol7-Octyn-1-ol, AldrichCPRSCHEMBL130670

名称をさらに表示

オクタン-7-イン-1-オール7-オクチン-1-オール7-Octyn-1-ol>Octane-7-yne-1-ol7-Octyn-1-ol - [O5669]7-OCTYN-1-OL, 97%7-OCTYN-1-OL, 97%7-OCTYN-1-OL, 97%

SCHEMBL130671SCHEMBL3181232AKOS005137929CS-W008554FO32098BP-29666DS-14712PD167318

データベース識別子

CAS: 871-91-0
PubChem CID: 70100
DTXSID: DTXSID6061234
EC Number: 844-109-9
Nikkaji: J421.540K

物性

構造計算による物性

XLogP: 1.9
極性表面積: 20.2 Å²
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: 9
形式電荷: 0
複雑度: 88

物理化学的性質

融点: -39 °C · -39°C (estimate)
沸点: 110 · 110-112°C 15mm
比重(密度): 0.889 · 0.889
屈折率: 1.452 to · 1.4520 to 1.4560
闪点: 116 ℃ · 116℃
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 油
酸解離定数(Pka): 15.17 · 15.17±0.10(Predicted)
色: 無色
InChI: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2
InChIKey: ATCNYMVVGBLQMQ-UHFFFAOYSA-N
SMILES: C(O)CCCCCC#C
EPAの化学物質情報: 7 · 7-Octyn-1-ol (871-91-0)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 1987
hs_code: 2905299090
risk_code: 10
消防法: 危-4-3-III
safety_code: 16
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information7-Octyn-1-ol: ACTIVE

応用分野

使用7-Octyn-1-ol is used in the synthesis of the sex pheromone of the citrus leafminer, Phyllocnistis citrella.

上流・下流製品情報

上流原料

Benzene, 1,1',1''-[(7-octyn-1-yloxy)methylidyne]tris-Silane, (1,1-dimethylethyl)dimethyl(7-octyn-1-yloxy)-7-オクチン酸メチル 1-Hexanol, 6-[(tetrahydro-2H-pyran-2-yl)oxy]-7-オクチン酸テトラヒドロ-2-(7-オクチニルオキシ)-2H-ピラン 2-オクチン-1-オール 3-オクチン-1-オールエチレンジアミン (無水)6-ブロモヘキサン酸 1,6-ヘキサンジオール 1-ブロモペンタン

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

7-オクチン-1-オール

基本情報