2,6-Octadienal, 3,6,7-trimethyl-
基本情報
- CAS
1891-67-4- 標準SMILES
CC(=CC=O)CCC(C)=C(C)C- InChIKey
CIJXIVUHYJAYCO-UHFFFAOYSA-N- 分子式
- C11H18O
- 平均分子量
- 166.26 g/mol
- 単同位体質量
- 166.13576519
名称と識別子
- 優先名称
- 2,6-Octadienal, 3,6,7-trimethyl-
- IUPAC
- 3,6,7-trimethylocta-2,6-dienal
名称と別名
2,6-Octadienal, 3,6,7-trimethyl-DTXSID30883767RefChem:83376DTXCID8010232571891-67-43,6,7-TRIMETHYLOCTA-2,6-DIENALSCHEMBL236854CIJXIVUHYJAYCO-UHFFFAOYSA-N3,6,7-Trimethyl-octa-2,6-dienal
データベース識別子
- CAS
1891-67-4- PubChem CID
- 53722795
- DTXSID
DTXSID30883767- EC Number
- 700-523-0
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 4
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 205
実験および物理化学的性質
Fragrances
Fragrance substance (3,6,7-Trimethyl-2,6-octadienal) -> IFRA amendment 51
Fragrance Ingredient (2,_6-_Octadienal, 3,_6,_7-_trimethyl-) -> IFRA transparency List
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 1 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: 2,6-Octadienal, 3,6,7-trimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
化学と産業
用途と製造
IFRA Fragrance Standards
3,6,7-Trimethyl-2,6-octadienal
3,6,7-Trimethyl-2,6-octadienal; 2,â6-âOctadienal, 3,â6,â7-âtrimethyl-
IFRA_STD_223.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use ClassificationFragrance Ingredients
General Manufacturing Information2,6-Octadienal, 3,6,7-trimethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.011 [Products applied to the lips]
0.032 [Products applied to the axillae]
0.023 [Products applied to the face/body using fingertips]
0.60 [Products related to fine fragrances]
0.15 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.034 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
関連反応
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