Basic information
- CAS
68141-27-5- Standard SMILES
C=CCCCCCCCCC(=O)OCCCCCCC- InChIKey
NLMOQNHZOQGLSZ-UHFFFAOYSA-N- Molecular formula
- C18H34O2
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.25588032
Overview
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Names & identifiers
- Preferred name
- Heptyl Undecylenate
- IUPAC
- heptyl undec-10-enoate
- English name
- heptyl undec-10-enoate
- Molecular formula
- C18H34O2
- Molecular weight
- 282.46
Names & synonyms
Heptyl undecylenateHeptyl undec-10-enoate68141-27-510-Undecenoic acid, heptyl esterHeptyl 10-undecenoateHeptyl 10-undecylenateW77QUB6GXOLEXFEEL NATURALEINECS 268-850-7DTXSID9071189RefChem:783747DTXCID0045624
Show more names
HEPTYL UNDECYLENATE [INCI]10-UNDECENOIC ACID HEPTYL ESTERUNII-W77QUB6GXOSCHEMBL502570NLMOQNHZOQGLSZ-UHFFFAOYSA-NAKOS024331357UNDEC-10-ENOIC ACID HEPTYL ESTERNS00019576
Database identifiers
- CAS
68141-27-5- PubChem CID
- 109641
- DTXSID
DTXSID9071189- UNII
- W77QUB6GXO
- EC Number
- 268-850-7
- Nikkaji
- J334.111I
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 223
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Heptyl Undecylenate) -> CIR (Cosmetic Ingredient Review)
FragrancesFragrance Ingredient (10-Undecenoic acid, heptyl ester) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 351 · 351.0±11.0 °C(Predicted)
- Density
- 0.871 · 0.871±0.06 g/cm3(Predicted)
- vapor pressure
- 0.014 Pa · 0.014Pa at 25℃
- solubility
- Insoluble in water, soluble in alcohol and oils.
- form
- Liquid
- color
- Colorless
- Odor
- Mild, woody-fruity odor, earthy-green and with sweet-soil-like undertones
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENT
- Cosmetic Ingredient Review (CIR)
- -10 · heptyl undec-10-enoate (68141-27-5)
- LogP
- 7.6 at · 7.6 at 25℃ and pH7
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 77 QUB6GXO · W77QUB6GXO
- EPA Substance Registry System
- 10 · 10-Undecenoic acid, heptyl ester (68141-27-5)
- Hazard statements
- 413 · H413
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (157 of 157) of all reports.
Not Classified
Aggregated GHS information provided per 157 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 10-Undecenoic acid, heptyl ester
REACH registered substance: Heptyl undec-10-enoate (EC: 268-850-7)
Other Safety InformationIMAP assessments - 10-Undecenoic acid, heptyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Safe for use in cosmetics, with qualifications
Safety data
- tsca
- TSCA listed
- Hazard statements
- H413
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Heptyl Undecylenate
Household ProductsInformation on 1 consumer products that contain Heptyl Undecylenate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information10-Undecenoic acid, heptyl ester: ACTIVE
Applications
UsesHeptyl Undecylenate has found a little use in perfume compositions as a modifier for herbaceous and woody notes in non-floral fragrance types.
Suppliers16 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
珠海柏瑞医药科技有限公司0756-8699456 13427714006 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
湖南秉航新材料有限公司85521272 18932438858 · [email protected]
海蔚化学86-21-51086038 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
Beri Pharma Co., Ltd.+86-13417710166 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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