Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CC(C)=CCCC(C)=CCCC(C)=CC=O
- InChIKey
- YHRUHBBTQZKMEX-UHFFFAOYSA-N
- 分子式
- C15H24O
- 平均分子量
- 220.35 g/mol
- 单同位素质量
- 220.18271539
COMPUTED
结构计算性质
- XLogP
- 4.9
- 极性表面积
- 17.1 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 7
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 289
PROPERTIES
实验与物化性质
Density
0.890-0.900
Solubility
Insoluble in water; 50% soluble in heptane, triacetin
soluble (in ethanol)
Boiling Point
198-201 °C (8 mm Hg)
Refractive Index
1.494-1.504
Physical Description
Clear yellow liquid; floral or minty aroma
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 5.4% (77 of 1439) of reports.
Warning
H315 (94.6%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (91.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1439 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 77 of 1439 reports by companies.;There are 4 notifications provided by 1362 of 1439 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Regulatory Information
Chemical: 2,6,10-Dodecatrienal, 3,7,11-trimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2,6,10-Dodecatrienal, 3,7,11-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (94.6%);Skin Sens. 1B (91.9%)
REGULATORY
法规信息
Regulatory Information
Chemical: 2,6,10-Dodecatrienal, 3,7,11-trimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2,6,10-Dodecatrienal, 3,7,11-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
IFRA Fragrance Standards
Farnesal
2,6,10-Dodecatrienal, 3,7,11-trimethyl-; 3,7,11-Trimethyl dodecatrien-2,6,10-al-1; 3,7,11-Trimethyl-2,6,10-dodecatrienal; 3,7,11-Trimethyldodeca-2,6,10-trienal
IFRA_STD_202.pdf
49
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 Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
2,6,10-Dodecatrienal, 3,7,11-trimethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.11 [Products applied to the lips]
0.032 [Products applied to the axillae]
0.11 [Products applied to the face/body using fingertips]
0.6 [Products related to fine fragrances]
0.15 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.15 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
ALIASES
名称与别名
REACTIONS
参与反应
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