α-ヘキシル-γ-ブチロラクトン

alpha-Hexyl-gamma-butyrolactone

HCID 86736CAS 18436-37-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCC1CCOC1=O
InChIKey: IBVDLVUXSDSVQF-UHFFFAOYSA-N
分子式: C10H18O2
平均分子量: 170.25 g/mol
単同位体質量: 170.13067982

名称と識別子

優先名称: alpha-Hexyl-gamma-butyrolactone
IUPAC: 3-hexyloxolan-2-one
現地名: α-ヘキシル-γ-ブチロラクトン
英語名: ALPHA-HEXYL-GAMMA-BUTYROLACTONE
分子式: C10H18O2
分子量: 170.25

名称と別名

alpha-Hexyl-gamma-butyrolactone18436-37-83-Hexyldihydrofuran-2(3H)-onealpha-Decalactone2(3H)-Furanone, 3-hexyldihydro-3-Hexyldihydro-2(3H)-furanoneDTXSID70474374J0O5KWX81EINECS 242-316-3DTXCID5027437.ALPHA.-HEXYL-.GAMMA.-BUTYROLACTONEOCTANOIC ACID, 2-(2-HYDROXYETHYL)-, .GAMMA.-LACTONE

名称をさらに表示

α-ヘキシル-γ-ブチロラクトン3-ヘキシル-3,4-ジヒドロ-2(5H)-フラノン3-ヘキシル-4,5-ジヒドロフラン-2(3H)-オンA-HEXYL-G-BUTYROLACTONE3-hexyldihydro-2(3h)-furanon3-Hexyl-4,5-dihydrofuran-2(3H)-one3-Hexyl-3,4-dihydro-2(5H)-furanone

RefChem:555733ALPHA-HEXYL-GAMMA-BUTYROLACTONE, (+-)-.ALPHA.-HEXYL-.GAMMA.-BUTYROLACTONE, (+-)-OCTANOIC ACID, 2-(2-HYDROXYETHYL)-, GAMMA-LACTONE264-169-43-hexyloxolan-2-one3-hexyltetrahydrofuran-2-onea-hexylbutyrolactone

データベース識別子

CAS: 18436-37-8
PubChem CID: 86736
DTXSID: DTXSID7047437
ChEMBL: CHEMBL478639
UNII: 4J0O5KWX81
EC Number: 242-316-3
Nikkaji: J266.175F

物性

構造計算による物性

XLogP: 3.3
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 143

実験および物理化学的性質

FragrancesFragrance Ingredient (3-Hexyldihydrofuran-2(3H)-one) -> IFRA transparency List

物理化学的性質

沸点: 146 °C · 146 °C / 16mmHg
比重(密度): 0 · 0,96 g/cm3
臭い (Odor): 100 %で。花のような甘い草のようなフルーティーなグリーン · 100.00%で。花のような甘い草のようなフルーティーなグリーンココナッツ
においのタイプ: 緑
化粧品成分の機能: 香料
LogP: 2.451 · 2.451 (est)
CAS データベース: 18436 · 18436-37-8
EPAの化学物質情報: 2 · 2(3H)-Furanone, 3-hexyldihydro- (18436-37-8)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 70.3% (90 of 128) of all reports.

Warning

H319 (29.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 128 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: 2(3H)-Furanone, 3-hexyldihydro-

2(3H)-Furanone, 3-hexyldihydro-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2(3H)-Furanone, 3-hexyldihydro-: Human health tier I assessment

Hazard Classes and CategoriesEye Irrit. 2 (29.7%)

安全データ

tsca: TSCA listed
hs_code: 2932190090
risk_code: 20/21/22-36/37/38-36
hazard_code: Xi
safety_code: 26-36/37/39

化学と産業

用途と製造

Use ClassificationFragrance Ingredients

General Manufacturing Information2(3H)-Furanone, 3-hexyldihydro-: ACTIVE

応用分野 · 1 件

使用Alpha-hexyl-gamma-butyrolactone has been suggested for usc in perfume compositions as a modifier for the more conventional lactoncs. It produces interesting variations in the fruity background notes of heavy Ambrc-like perfumes, and it does not produce the overly sweet or heavy - fruity notes often derived from Undccanolitlc.

上流・下流製品情報

上流原料

α-ブロモ-γ-ブチロラクトン酸化エチレン 1-ヘキセン

サプライヤー14 社

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