Basic information
- CAS
76649-25-7- Standard SMILES
CCC=CCC=CCCO- InChIKey
PICGPEBVZGCYBV-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Overview
3,6-Nonadien-1-ol has been reported in Cucumis melo with data available.
Names & identifiers
- Preferred name
- 3,6-Nonadien-1-ol
- IUPAC
- nona-3,6-dien-1-ol
- English name
- trans,cis-3,6-Nonadien-1-ol
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
3,6-Nonadien-1-ol76649-25-7NONA-3,6-DIEN-1-OLEINECS 278-518-3DTXSID6072843RefChem:91795DTXCID4047911278-518-33,6-nonadienolMFCD01632150SCHEMBL88350PICGPEBVZGCYBV-UHFFFAOYSA-N
Show more names
FEMA 38843,6-Nonadiyne-1-ol3,6-Nonadien-1-ol (E,Z)-3,6-NONADIEN-1-OLMixtureofstereoisomeresrans,cis-3,6-Nonadien-1-ol(3E,6E)-Nona-3,6-dien-1-oltrans,cis-3,6-Nonadien-1-ol
NS00013031NS00124361
Database identifiers
- CAS
76649-25-7- PubChem CID
- 42011
- DTXSID
DTXSID6072843- EC Number
- 278-518-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
FragrancesFragrance Ingredient (3,6-Nonadien-1-ol) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 214.7 · 214.7±9.0 °C(Predicted)
- Density
- 0.87 · 0.87
- refractive index
- 1.465 · 1.4650-1.4690
- FEMA
- 3884 · 3884 | (E)-3-(Z)-6-NONADIEN-1-OL
- FLAVIS Number
- 2.189 · 02.189 | (Z,Z)-Nona-3,6-dien-1-ol
- Flash point
- 99 °C · 99 °C
- pka
- 14.97 · 14.97±0.10(Predicted)
- Specific Gravity
- 0.871 · 0.871
- Odor
- 1 % · at 1.00 % in dipropylene glycol. fresh green violet cucumber
- Odor Type
- green
- Cosmetics Ingredients Functions
- PERFUMING
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 94.7% (90 of 95) of all reports.
Not Classified
Aggregated GHS information provided per 95 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3,6-Nonadien-1-ol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3,6-Nonadien-1-ol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3,6-Nonadien-1-ol: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2905299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information3,6-Nonadien-1-ol: ACTIVE
Applications
OccurrenceReported found in melon, cucumber and wax jambu (Syzygium samarangense Merr.).
Suppliers39 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
吉良化学21-62165282 · [email protected]
四川库利南科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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