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基本情報
- CAS
3391-86-4- 標準SMILES
C=CC(O)CCCCC- InChIKey
VSMOENVRRABVKN-UHFFFAOYSA-N- 分子式
- C8H16O
- 平均分子量
- 128.21 g/mol
- 単同位体質量
- 128.12011513
概要
Oct-1-en-3-ol is an alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1C-2. It is a major volatile compound present in many mushrooms and fungi. It has a role as an insect attractant, a volatile oil component, an antimicrobial agent and a fungal metabolite. It is a medium-chain fatty alcohol and an alkenyl alcohol. It derives from a hydride of a 1-octene.
名称と識別子
- 優先名称
- 1-Octen-3-Ol
- IUPAC
- oct-1-en-3-ol
- 現地名
- 1-オクテン-3-オール
- 英語名
- 1-Octen-3-ol
- 分子式
- C8H16O
- 分子量
- 128.21
名称と別名
1-OCTEN-3-OLOct-1-en-3-ol3391-86-4Vinyl amyl carbinolAmyl vinyl carbinol1-Vinylhexanol3-Hydroxy-1-octeneMatsuica alcoholMushroom alcoholPentylvinylcarbinolVinyl hexanolAmylvinylcarbinol
名称をさらに表示
1-オクテン-3-オール7-オクテン-6-オール1-ペンチルアリルアルコールマツタケアルコール1-オクテン-3-オ-ルマツタケオール1-オクテン-3-オール98%1-Octene-3-ol3-OctenolOcten-3-olMatsutake alcoholMatsuka alcohol
octene-1-ol-3FEMA No. 2805DTXSID3035214NSC-87563WXB511GE38CHEBI:34118DTXCID1015214RefChem:76777
データベース識別子
- CAS
3391-86-4- PubChem CID
- 18827
- DTXSID
DTXSID3035214- ChEMBL
CHEMBL3183573- ChEBI
CHEBI:34118
物性
構造計算による物性補完中
- XLogP
- 2.6
- 極性表面積
- 20.2 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
- 9
- 形式電荷
- 0
- 複雑度
- 69
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
FragrancesFragrance Ingredient (1-Octen-3-ol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.835-0.845
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
84.00 to 85.00 °C. @ 25.00 mm Hg
175-175.2 °C
Melting Point175 °C
Refractive Index1.431-1.442
Physical Description
Solid
Colourless oily liquid; powerful sweet earthy odour with strong herbaceous note reminiscent of lavender-lavadin, rose and hay
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1788 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
危険有害性情報
Regulatory Information
Chemical: 1-Octen-3-ol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 19-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21844
1-Octen-3-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (96.6%)
Flammable liquids - Category 4
Skin sensitization - Category 1
毒性情報
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RH3300000
- ridadr
- 2810
- 毒性
- LD50 orally in Rabbit: 340 mg/kg LD50 dermal Rabbit 3300 mg/kg
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Uses
Octenol is used, sometimes in combination with carbon dioxide, to attract insects in order to kill them with certain electronic devices. Its odor has been described as green and moldy or meaty; it is used in certain perfumes. In an animal study, octenol has been found to disrupt dopamine homeostasis and may be an environmental agent involved in parkinsonism.
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Octen-3-ol: ACTIVE
応用分野
用途有機合成原料。
用途ミントあるいは野菜類のフレーバー用としてまたラベンダーなどフレグランス用香料
説明l-Octen-3-ol has a powerful, sweet, earthy odor with a strong, herbaceous note reminiscent of lavender-lavandin, rose, and hay. It has a sweet, herbaceous taste. May be prepared from magnesium amyl bromide and acrolein.
天然物の起源Originally reported found in the mushroom Armillaria matsutake, a parasite growing on the radical hairs of Pinus densiflora in the forests of Japan; it has been isolated also in the essential oils of Mentha pulegium L., lavender and Mentha timjia. Also reported found in over 160 foods and beverages including banana, kumquat peel oil, berries, currants, guava, grapes, raisin, melon, pineapple, asparagus, potato, tomato, Mentha oils, thyme, wheat bread, cheeses, buttermilk, boiled egg, fish, cooked meats, hop oil, beer, cognac, rum, grape wines, cocoa, coffee, tea, pecans, plum, oats, soybean, olive, cloudberry, plums, beans, mushroom, marjoram, starfruit, sesame seed, fig, kelp, rice, beans, litchi, calamus, dill, licorice, pumpkin, buckwheat, sweet corn, corn tortilla, malt, rice, wort, krill, rosemary, Bourbon vanilla, mountain papaya, endive, lemon balm, shrimp, oyster, crab, clam, scallop, truffle, winter savory, anise hyssop and maté.
関連反応
4 件
化合物ノート
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