基本情報
- CAS
18871-14-2- 標準SMILES
CCCCCC1COCCC1OC(C)=O- InChIKey
VSRVCSJJKWDZSH-UHFFFAOYSA-N- 分子式
- C12H22O3
- 平均分子量
- 214.3 g/mol
- 単同位体質量
- 214.15689456
概要
a fragrance compound; structure in first source
名称と識別子
- 優先名称
- 4-Acetoxy-3-pentyltetrahydropyran
- IUPAC
- (3-pentyloxan-4-yl) acetate
- 現地名
- 4-アセチルオキシ-3-ペンチルテトラヒドロ-2H-ピラン
- 英語名
- JASMAL
- 分子式
- C12H22O3
- 分子量
- 214.3
名称と別名
18871-14-2JasmopyraneTetrahydro-3-pentyl-2H-pyran-4-yl acetatePentitol, 1,5-anhydro-2,4-dideoxy-2-pentyl-, 3-acetate2H-Pyran-4-ol, tetrahydro-3-pentyl-, acetate3-Amyl-4-acetoxytetrahydropyran4-Acetoxy-3-pentyltetrahydropyranDTXSID704455630E3255185JASMOPYRANE FORTERefChem:97605DTXCID5024556
名称をさらに表示
3-ペンチル-4-アセトキシテトラヒドロ-2H-ピラン酢酸(テトラヒドロ-3-ペンチル-2H-ピラン-4-イル)4-アセチルオキシ-3-ペンチルテトラヒドロ-2H-ピラン3-ペンチル-4-アセトキシテトラヒドロピランDRAGOJASIMIAherbal pyranJasmin FuranJasmyl acetatejasmopyrane (Givaudan)Jasmopyrane Forte 6347541
3,4,5,6-tetrahydro-3-pentyl-2h-pyran-4-yl acetate242-640-5Jasmal(3-pentyloxan-4-yl) acetate3-o-acetyl-1,5-anhydro-2,4-dideoxy-2-pentylpentitolJasmophyll3-Pentyl-4-acetyl-oxytetrahydro-2H-pyranEINECS 242-640-5
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 191
実験および物理化学的性質
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (4-Acetoxy-3-pentyltetrahydropyran) -> IFRA transparency List
Physical DescriptionCBI; Liquid
物理化学的性質
- 沸点
- 278.1 · 278.1±33.0 °C(Predicted)
- 比重(密度)
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- 蒸気圧
- 0.49 Pa · 0.49Pa at 24℃
- 臭い (Odor)
- 100 %で。フローラル · 100.00%で。フローラル ハーブ オイリー グリーン ジャスミン マッシュルーム ラクトニック
- においのタイプ
- 花柄
- 水溶解度
- 214.9 mg/L · 214.9mg/L at 24℃
- 化粧品成分の機能
- 香料
- LogP
- 3.2 at · 3.2 at 25℃
- EPAの化学物質情報
- 2 H-Pyran-4-ol, · 2H-Pyran-4-ol, tetrahydro-3-pentyl-, acetate (18871-14-2)
化学的性質
3-Pentyltetrahydro-2H-pyran-4-ol Acetate is a colorless to pale yellow liquid with a sweet, floral, fruity, slightly woody, jasminelike odor. It is prepared by a Prins reaction of 1-octene with formaldehyde and acetic acid and is used in perfumes for various flower types, especially jasmine.
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
This chemical does not meet GHS hazard criteria for 7.9% (147 of 1855) of reports.
Warning
H319 (21.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1855 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2H-Pyran-4-ol, tetrahydro-3-pentyl-, acetate
Pentitol, 1,5-anhydro-2,4-dideoxy-2-pentyl-, 3-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentitol, 1,5-anhydro-2,4-dideoxy-2-pentyl-, 3-acetate 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)
REACH registered substance: Tetrahydro-3-pentyl-2H-pyran-4-yl acetate (EC: 242-640-5)
2H-Pyran-4-ol, tetrahydro-3-pentyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (21.1%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 8 consumer products that contain Jasmopyrane in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Pentitol, 1,5-anhydro-2,4-dideoxy-2-pentyl-, 3-acetate: ACTIVE
応用分野
使用Jasmal is a tetrahydropyranyl acetate compound that has a plant-like floral jasmin odour, and is regularly used in perfume and soap formulations.
サプライヤー34 社
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
梯希爱（上海）化工贸易有限公司
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