citronellyl butyrate (CAS 141-16-2) — formula C14H26O2, molecular weight 226.19 g/mol; category organic chemicals.
| CAS Number | 141-16-2 |
|---|---|
| Molecular Formula | C14H26O2 |
| Molecular Weight | 226.19 g/mol |
| Boiling Point | 245.00 °C. @ 760.00 mm Hg |
| LogP | 4.6 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3, 7-dimethyl-6-octen-1-yl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3, 7-dimethyl-6-octen-1-yl ester: ACTIVE.
citronellyl butyrate is a carbon-based organic compound with CAS registry number 141-16-2 and molecular formula C14H26O2 (molecular weight 226.19 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 141-16-2
Its molecular formula C14H26O2 comprises 14 C, 26 H, 2 O atoms.
Also known as: citronellyl butyrate · 3,7-二甲基-6-辛烯醇丁酸酯 · 3,7-DIMETHYL-6-OCTEN-1-YL BUTYRATE
Category: organic chemicals
The CAS registry number of citronellyl butyrate is 141-16-2.
Molecular formula C14H26O2, molecular weight 226.19 g/mol.
It is also registered under: citronellyl butyrate, 3,7-二甲基-6-辛烯醇丁酸酯, 3,7-DIMETHYL-6-OCTEN-1-YL BUTYRATE.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3, 7-dimethyl-6-octen-1-yl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for citronellyl butyrate (CAS 141-16-2), compiled from public chemistry databases.
| CAS Registry Number | 141-16-2 |
|---|---|
| PubChem CID | 8835 |
| Molecular formula | C14H26O2 |
| IUPAC name | 3,7-dimethyloct-6-enyl butanoate |
| UNII (FDA) | IY68QPD54V |
| FEMA number | 2312 |
| JECFA number | 65 |
| Molecular Weight | 226.35 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 226.193280068 |
| Monoisotopic Mass | 226.193280068 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Boiling Point | 245.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 245 °C |
| Density | 0.873-0.883 |
| Refractive Index | 1.444-1.448 |
Citronellyl butyrate; 141-16-2; 3,7-dimethyloct-6-en-1-yl butanoate; Butanoic acid, 3,7-dimethyl-6-octen-1-yl ester; Butanoic acid, 3,7-dimethyl-6-octenyl ester; FEMA No. 2312; 3,7-Dimethyl-6-octen-1-yl butyrate; Butyric acid, 3,7-dimethyl-6-octenyl ester; (1)-3,7-Dimethyloct-6-enyl butyrate; DTXSID5047405; 6-OCTEN-1-OL, 3,7-DIMETHYL-, BUTYRATE; IY68QPD54V; NSC-46147; DTXCID3027405; RefChem:577481; 205-463-4
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit, Rose No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 95.7% (1598 / 1669) |
| GHS notification summary | 95.7% (1598 / 1669) |
|---|
This chemical does not meet GHS hazard criteria for 95.7% (1598 of 1669) of all reports.
Reported as not meeting GHS hazard criteria by 1598 of 1669 companies (only 4.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
3,7-DIMETHYL-6-OCTEN-1-YL BUTYRATE · CAS 141-16-2 · C14H26O2. UNII IY68QPD54V. Boiling Point: 245.00 °C. @ 760.00 mm Hg; Boiling Point: 245 °C; Density: 0.873-0.883.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,7-二甲基-6-辛烯醇丁酸酯