6-Octen-1-ol, 3,7-dimethyl-, (S)-
(-)-beta-citronellol
CAS: 7540-51-4;106-22-9
Molecular Formula: C10H20O
6-Octen-1-ol, 3,7-dimethyl-, (S)- - Names and Identifiers
| Name | (-)-beta-citronellol |
| Synonyms | Ai3-09552 Citronellol BETA-RHODINOL 2,3-Dihydrogeraniol (-)-beta-citronellol (-)-beta-Citronellol (S)-(-)-BETA-CITRONELLOL 3,7-Dimethyl-6-octen-1-ol (-)-3,7-Dimethyloct-6-en-1-ol (S)-3,7-DIMETHYL-6-OCTEN-1-OL (-)-3,7-dimethyloct-6-en-1-ol (3R)-3,7-dimethyloct-6-en-1-ol 6-Octen-1-ol, 3,7-dimethyl-, (S)- (S)-(-)-3,7-DIMETHYL-6-OCTEN-1-OL (S)-(-)-3,7-dimethyl-oct-6-en-1-ol |
| CAS | 7540-51-4 106-22-9 |
| EINECS | 231-415-7 |
| InChI | InChI=1/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1 |
| InChIKey | QMVPMAAFGQKVCJ-JTQLQIEISA-N |
6-Octen-1-ol, 3,7-dimethyl-, (S)- - Physico-chemical Properties
| Molecular Formula | C10H20O |
| Molar Mass | 156.27 |
| Density | 0.856g/mLat 25°C(lit.) |
| Melting Point | 77-83 °C(lit.) |
| Boling Point | 225-226°C(lit.) |
| Specific Rotation(α) | n20/D 1.456 (lit.)；-0.3～+0.3°(D/20°C)(neat) |
| Flash Point | 210°F |
| JECFA Number | 1219 |
| Water Solubility | 325.6mg/L at 20℃ |
| Solubility | Slightly soluble in water. |
| Vapor Presure | ~0.02 mm Hg ( 25 °C) |
| Appearance | oily liquid |
| Specific Gravity | 0.87 |
| Color | Colourless |
| Merck | 14,2330 |
| BRN | 1721505 |
| pKa | 15.13±0.10(Predicted) |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.456 |
| MDL | MFCD00002935 |
| Physical and Chemical Properties | Boiling Point: 222 density: 0.857 refractive index: 1.462 flash point: 79 appearance: colorless to light yellow liquid |
| Use | Widely used in the preparation of perfume essence, soap and cosmetic essence |
6-Octen-1-ol, 3,7-dimethyl-, (S)- - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 2 |
| RTECS | RH3404000 |
| FLUKA BRAND F CODES | 8-10 |
| TSCA | Yes |
| HS Code | 29052220 |
| Toxicity | LD50 orally in Rabbit: 3450 mg/kg LD50 dermal Rabbit 2650 mg/kg |
6-Octen-1-ol, 3,7-dimethyl-, (S)- - Reference
| Reference Show more | 1. Meng Ruiyun, Lu Wenhui, Yao Qiqi, etc. Analysis of aroma components and content changes in rose dew water by gas chromatography [J]. Measurement for chemical analysis, 2018, 29 (6):42-46. 2. Zhang Yan, Hong Kang, Sanjiang, zangzhen et al. Effects of different extraction methods on the extraction of bitter water Rose [J]. Science and Technology of Food Industry 2018(11). |
6-Octen-1-ol, 3,7-dimethyl-, (S)- - Nature
Open Data Verified Data
colorless liquid with pleasant aroma of Rose. Insoluble in water, soluble in organic solvents such as ethanol. The molecular weight was 156.26, the boiling point was 225~230 ℃, the relative density was 0.860-0.880, and the refractive index was 1. 463~473. Natural products are mainly found in the oil of La Rotunda leaves, rose oil, lemon eucalyptus oil, rose grass oil.
Last Update：2024-01-02 23:10:35
6-Octen-1-ol, 3,7-dimethyl-, (S)- - Preparation Method
Open Data Verified Data
geraniol and citronellol were saponified and removed by adding an alkali to geraniol, and then fractionated and isolated.
Last Update：2022-01-01 11:14:53
6-Octen-1-ol, 3,7-dimethyl-, (S)- - Use
Open Data Verified Data
can be used as a raw material for the preparation of food flavor.
Last Update：2022-01-01 11:14:53
6-Octen-1-ol, 3,7-dimethyl-, (S)- - Reference Information
| FEMA | 2309 | DL-CITRONELLOL |
| LogP | 3.66 at 40℃ |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | widely used in the preparation of perfume essence, soap and cosmetic essence |
| autoignition temperature | 240°C |
Last Update：2024-04-09 20:52:54
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