CAS 2305-21-7 2-Hexen-1-ol (HCID 5318042)

名称と識別子

優先名称: 2-Hexen-1-ol
IUPAC: (E)-hex-2-en-1-ol
現地名: trans-2-ヘキセン-1-オール
英語名: trans-2-Hexen-1-ol
分子式: C6H12O
分子量: 100.16

名称と別名

2-HEXEN-1-OL2-HexenolHex-2-en-1-ol3-Propylallyl alcohol2305-21-7FEMA No. 2562CHEBI:144070NSC-1425534786A28X17DTXSID3051882RefChem:1063289DTXCID1030442

名称をさらに表示

trans-2-ヘキセン-1-オールtrans-2-ヘキセノール(2E)-2-ヘキセン-1-オール(E)-2-ヘキセン-1-オールtrans-2-ヘキセノ-ル（E）-ヘキサ-2-エン-1-オールTRANS‐2‐ヘキセン‐1‐オールtrans-2-ヘキセン-1-オール, 97%(E)-hex-2-enolHEXENOL TRANS-2(2E)-2-Hexen-1-olrans-2-Hexen-1-oltrans-hex-2-en-1-ol

218-972-1trans-2-Hexen-1-Ol928-95-0(E)-Hex-2-en-1-oltrans-2-Hexenol(E)-2-Hexen-1-ol2-Hexen-1-ol, (2E)-(E)-2-HEXENOL

データベース識別子

CAS: 2305-21-7、928-95-0
PubChem CID: 5318042
DTXSID: DTXSID2047062
ChEMBL: CHEMBL2228463
ChEBI: CHEBI:144070
UNII: BVP79C4821
EC Number: 213-191-2、218-972-1
Nikkaji: J213.178A、J36.843A

物性

構造計算による物性

XLogP: 1.4
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: 3
重原子数: 7
形式電荷: 0
複雑度: 48

実験および物理化学的性質

Density0.836-0.841

Solubility · 2 件

Soluble in propylene glycol and most fixed oils; Very slightly soluble in water

Soluble (in ethanol)

Boiling Point · 2 件

158.00 to 160.00 °C. @ 760.00 mm Hg

158-160

Refractive Index1.437-1.442

Physical Description · 3 件

Liquid

Almost colourless liquid; Strong, fruity-green aroma

Kovats Retention Index · 3 件

848；845；845；846；856；833；849；850；845；847；849；849；850；851；854；855；855；859；859；860

862；862；862；862；879；868；861；856；862；885.7；861；867；861；850；851；865；858；865；874；887

1409；1410；1380；1394；1407；1390；1390；1390；1403；1417；1402；1394；1409；1392；1407；1406；1406；1410；1414；1391

物理化学的性質

融点: 54.63 °C · 54.63°C
沸点: 158 · 158-160 °C(lit.)
比重(密度): 0.849 g/mL · 0.849 g/mL at 25 °C(lit.)
蒸気圧: 1 hPa · 1hPa at 20℃
FEMA: 2562 · 2562 | 2-HEXEN-1-OL
屈折率: 20 · n20/D 1.438(lit.)
闪点: 130 °F · 130 °F
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 14.45 · 14.45±0.10(Predicted)
外見: 液体
色: 無色透明
臭い (Odor): 10 %。新鮮な緑の葉っぱのフルーティーな未熟なバナナ · ジプロピレングリコール中10.00%。新鮮な緑の葉っぱのフルーティーな未熟なバナナ
においのタイプ: フルーティーな
由来生物: synthetic
水溶解度: 水にわずかに溶ける
BRN: 1719709 · 1719709
安定性: 安定。可燃性。強酸化剤、強酸とは相容れない。
主な用途: フレーバーそして香料
化粧品成分の機能: 香料
InChI: 1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
InChIKey: ZCHHRLHTBGRGOT-SNAWJCMRSA-N
SMILES: [H]\C(CO)=C(\[H])CCC
LogP: 1.61 at · 1.61 at 25℃
CAS データベース: 928 · 928-95-0(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Hexen-1-ol, (E)-(928-95-0)
EPAの化学物質情報: -2 · (E)-2-Hexen-1-ol (928-95-0)

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 1.9% (32 of 1672) of reports.

Warning

H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]；H317 (82.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (85.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1672 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 32 of 1672 reports by companies.；There are 16 notifications provided by 1640 of 1672 reports by companies with hazard statement code(s).；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 · 6 件

Chemical: 2-Hexen-1-ol, (E)-

Chemical: 2-Hexen-1-ol

Regulation (EC) No 1831/2003 (amended)

2-Hexen-1-ol, (2E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Hexen-1-ol, (2E)- 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: 24-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26595

2-Hexen-1-ol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 件

IMAP assessments - 2-Hexen-1-ol: Environment tier I assessment

Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and Categories · 2 件

Flam. Liq. 3 (27.7%)

Flam. Liq. 3 (97.6%)；Skin Sens. 1 (82.1%)；Eye Irrit. 2A (85.8%)

法規制情報

Regulatory Information · 6 件

Chemical: 2-Hexen-1-ol, (E)-

Chemical: 2-Hexen-1-ol

Regulation (EC) No 1831/2003 (amended)

2-Hexen-1-ol, (2E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Hexen-1-ol, (2E)- 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: 24-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26595

2-Hexen-1-ol: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 2
tsca: TSCA listed
rtecs: MP8390000
ridadr: UN 1987 3/PG 3
hs_code: 29052900
risk_code: 10-36/37/38
化審法: (2)-2393
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Cellular LocationsCytoplasm；Extracellular；Membrane

用途と製造

U.S. Production2023: 19,643 lb；2022: <50,000 lb；2021: <50,000 lb；2020: <50,000 lb

Consumer UsesFragrance

Household ProductsInformation on 2 consumer products that contain Trans-2-Hexenol in the following categories is provided:；• Commercial / Institutional；• Inside the Home

Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 件

2-Hexen-1-ol, (2E)-: ACTIVE

2-Hexen-1-ol: ACTIVE

応用分野 · 3 件

用途有機合成原料、香料材料。

使用trans-2-Hexen-1-ol was used to evaluate the quality of protected designation of virgin olive oils by headspace solid-phase microextraction-gas chromatography using flame ionization detection and multivariate analysis. It was also used in encapsulation of vanadium catalysts in inorganic and hybrid matrices using sol-gel method.

一般的な説明trans-2-Hexen-1-ol undergoes allylic epoxidation to yield (2R,3R)-(+)-3-propyloxiranemethanol in high pressure carbon dioxide.

上流・下流製品情報

上流原料

3-ヘキシン-1-オールソルビン酸 2-Hexene, 1-bromo-, (2E)-1-Hexene, 3-(methylseleno)-2-ヘキセン酸エチル trans-2-ヘキセナール 2-ヘキシン-1-オール 1-ヘキセン-3-オール (2E)-2-ヘキセン酸エチル

下流製品

酪酸trans-2-ヘキセニル trans-4-オクテン cis-2-ヘキセン-1-オール

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化合物ノート

読み込み中…

trans-2-ヘキセン-1-オール

基本情報