3,7-ジメチル-7-オクテン-1-オール

3,7-Dimethyl-7-octen-1-ol

HCID 543323
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基本情報

CAS
141-25-3
標準SMILES
C=C(C)CCCC(C)CCO
InChIKey
JGQFVRIQXUFPAH-UHFFFAOYSA-N
分子式
C10H20O
平均分子量
156.26 g/mol
単同位体質量
156.15141526

概要

fragrance ingredient; structure in first source

名称と識別子

優先名称
3,7-Dimethyl-7-octen-1-ol
IUPAC
3,7-dimethyloct-7-en-1-ol
現地名
3,7-ジメチル-7-オクテン-1-オール
英語名
Rhodinol
分子式
C10H20O
分子量
156.27

名称と別名

3,7-Dimethyl-7-octen-1-ol141-25-37-OCTEN-1-OL, 3,7-DIMETHYL-RefChem:918993,7-Dimethyloct-7-en-1-olalpha-Citronellol2,6-Dimethyl-1-octen-8-ol.alpha.-CitronellolEINECS 205-473-9a-CitronellolRhodinol?S-(-)-3,7-Dimethyl-7-octen-1-ol
名称をさらに表示
3,7-ジメチル-7-オクテン-1-オール2,6-ジメチル-1-オクテン-8-オール3，7-ジメチルオクタ-7-エン-1-オールRHODINOLRHODINOL FINERHODINOL FCCRhodinol CrudeRHODINOL, NATURALRHODINOL SUBSTITUTERHODINOL, SYNTHETICRHODINOL PURE EXTRA FCC3,7-dimethyl-7-octen-1-o
3,7-Dimethyl-7-octen-1-ol-, (S)-SCHEMBL116734FEMA 2980Tox21_302625LMFA05000637MFCD01110892(S)-3,7-dimethyl-oct-7-en-1-olAKOS004905699

データベース識別子

CAS
141-25-3
PubChem CID
543323
DTXSID
DTXSID2047193
EC Number
205-473-9
Nikkaji
J42.532J

物性

構造計算による物性

XLogP
3.5
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
6
重原子数
11

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SpringerMaterials PropertiesSurface tension
FragrancesFragrance Ingredient (3,7-Dimethyloct-7-en-1-ol) -> IFRA transparency List
Food AdditivesANTIOXIDANT, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

物理化学的性質

融点
-4.05 °C · -4.05°C (estimate)
沸点
68 · 68-70 °C1.8 mm Hg(lit.)
比重(密度)
0.865 g/mL · 0.865 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.469(lit.)
FEMA
2980 · 2980 | RHODINOL
闪点
210 °F · 210 °F

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (81.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 216 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 7-Octen-1-ol, 3,7-dimethyl-

7-Octen-1-ol, 3,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 7-Octen-1-ol, 3,7-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (81.9%)

安全データ

wgk
2
tsca
TSCA listed
rtecs
RH3410000
hazard_code
Xi
safety_code
26-36

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

Use ClassificationFragrance Ingredients
General Manufacturing Information7-Octen-1-ol, 3,7-dimethyl-: ACTIVE
応用分野 · 2 件

使用Rhodinol is a flavoring agent that is a colorless liquid, with an odor resembling rose. It is soluble in most fixed oils, mineral oil, and propylene glycol, insoluble in glycerin. It is usually obtained from reunion germanium oil.

使用Rhodinol is an expensive perfume material (about twice the cost of Geranium oil) but it is unsurpassed in floral beauty. It can not be replaced by any grade of Citronellol (synthetic or Citronella-isolate) in a composition. The flavor chemist may be even more discriminate, since “Rhodinol” is used as a Sweet undertone In 3trawberry, Kaspberry, Currant, Honey, Grape and in fruit complexes, spice blends, Ginger Ale flavor, Chocolate imitation, etc. The concentration is normally about 1 to 10 ppm in the finished product, except in chewing gum, where it may reach 30 ppm.

上流・下流製品情報

サプライヤー47 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北科麦迪化工有限公司18372743325
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

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