Basic information
- CAS
2305-21-7- Standard SMILES
CCC/C=C/CO- InChIKey
ZCHHRLHTBGRGOT-SNAWJCMRSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- 2-Hexen-1-ol
- IUPAC
- (E)-hex-2-en-1-ol
- English name
- trans-2-Hexen-1-ol
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
2-HEXEN-1-OL2-HexenolHex-2-en-1-ol3-Propylallyl alcohol2305-21-7FEMA No. 2562CHEBI:144070NSC-1425534786A28X17DTXSID3051882RefChem:1063289DTXCID1030442
Show more names
(E)-hex-2-enolHEXENOL TRANS-2(2E)-2-Hexen-1-olrans-2-Hexen-1-oltrans-hex-2-en-1-ol
218-972-1trans-2-Hexen-1-Ol928-95-0(E)-Hex-2-en-1-oltrans-2-Hexenol(E)-2-Hexen-1-ol2-Hexen-1-ol, (2E)-(E)-2-HEXENOL
Database identifiers
- CAS
2305-21-7、928-95-0- PubChem CID
- 5318042
- DTXSID
DTXSID2047062- ChEMBL
CHEMBL2228463- ChEBI
CHEBI:144070- UNII
- BVP79C4821
- EC Number
- 213-191-2、218-972-1
- Nikkaji
- J213.178A、J36.843A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 48
Experimental & physicochemical properties
Density0.836-0.841
Solubility
Soluble in propylene glycol and most fixed oils; Very slightly soluble in water
Soluble (in ethanol)
Boiling Point
158.00 to 160.00 °C. @ 760.00 mm Hg
158-160
Refractive Index1.437-1.442
Physical Description
Liquid
Liquid
Almost colourless liquid; Strong, fruity-green aroma
Kovats Retention Index
848；845；845；846；856；833；849；850；845；847；849；849；850；851；854；855；855；859；859；860
862；862；862；862；879；868；861；856；862；885.7；861；867；861；850；851；865；858；865；874；887
1409；1410；1380；1394；1407；1390；1390；1390；1403；1417；1402；1394；1409；1392；1407；1406；1406；1410；1414；1391
Physicochemical properties
- Melting point
- 54.63 °C · 54.63°C
- Boiling point
- 158 · 158-160 °C(lit.)
- Density
- 0.849 g/mL · 0.849 g/mL at 25 °C(lit.)
- vapor pressure
- 1 hPa · 1hPa at 20℃
- FEMA
- 2562 · 2562 | 2-HEXEN-1-OL
- refractive index
- 20 · n20/D 1.438(lit.)
- Flash point
- 130 °F · 130 °F
- storage temp.
- 2 · 2-8°C
- pka
- 14.45 · 14.45±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fresh green leafy fruity unripe banana
- Odor Type
- fruity
- biological source
- synthetic
- Water Solubility
- Slightly soluble in water
- BRN
- 1719709 · 1719709
- Stability
- Stable. Flammable. Incompatible with strong oxidizing agents, strong acids.
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
- InChIKey
- ZCHHRLHTBGRGOT-SNAWJCMRSA-N
- SMILES
- [H]\C(CO)=C(\[H])CCC
- LogP
- 1.61 at · 1.61 at 25℃
- CAS DataBase Reference
- 928 · 928-95-0(CAS DataBase Reference)
- FDA UNII
- 79 C4821 · BVP79C4821
- NIST Chemistry Reference
- 2 · 2-Hexen-1-ol, (E)-(928-95-0)
- EPA Substance Registry System
- -2 · (E)-2-Hexen-1-ol (928-95-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P370+P378
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 1987 · UN 1987 3/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 8390000 · MP8390000
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29052900 · 29052900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.9% (32 of 1672) of reports.
Warning
H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]；H317 (82.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (85.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1672 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 32 of 1672 reports by companies.；There are 16 notifications provided by 1640 of 1672 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.
Hazard information
Regulatory Information
Chemical: 2-Hexen-1-ol, (E)-
Chemical: 2-Hexen-1-ol
Regulation (EC) No 1831/2003 (amended)
2-Hexen-1-ol, (2E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Hexen-1-ol, (2E)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 24-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26595
2-Hexen-1-ol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - 2-Hexen-1-ol: Environment tier I assessment
Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and Categories
Flam. Liq. 3 (27.7%)
Flam. Liq. 3 (97.6%)；Skin Sens. 1 (82.1%)；Eye Irrit. 2A (85.8%)
Regulatory information
Regulatory Information
Chemical: 2-Hexen-1-ol, (E)-
Chemical: 2-Hexen-1-ol
Regulation (EC) No 1831/2003 (amended)
2-Hexen-1-ol, (2E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Hexen-1-ol, (2E)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 24-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26595
2-Hexen-1-ol: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MP8390000
- ridadr
- UN 1987 3/PG 3
- hs_code
- 29052900
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- REACH Registrations
- Active
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P370+P378
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm；Extracellular；Membrane
Uses & manufacturing
U.S. Production2023: 19,643 lb；2022: <50,000 lb；2021: <50,000 lb；2020: <50,000 lb
Consumer UsesFragrance
Household ProductsInformation on 2 consumer products that contain Trans-2-Hexenol in the following categories is provided:；• Commercial / Institutional；• Inside the Home
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
2-Hexen-1-ol, (2E)-: ACTIVE
2-Hexen-1-ol: ACTIVE
Applications
Usestrans-2-Hexen-1-ol was used to evaluate the quality of protected designation of virgin olive oils by headspace solid-phase microextraction-gas chromatography using flame ionization detection and multivariate analysis. It was also used in encapsulation of vanadium catalysts in inorganic and hybrid matrices using sol-gel method.
General Descriptiontrans-2-Hexen-1-ol undergoes allylic epoxidation to yield (2R,3R)-(+)-3-propyloxiranemethanol in high pressure carbon dioxide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
苏州启航生物科技有限公司18151111370 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州研富贸易有限公司15990061515
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
吉良化学21-62165282 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
沧州东恩科技有限公司15732756063 18631716282 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
吉水县益康天然香料油提炼厂0796-8128936 19070600085
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
Additional notes
DefinitionChEBI: 2-hexen-1-ol is a primary allylic alcohol that is 2-hexene in which a hydrogen at position 1 has been replaced by a hydroxy group. It has a role as a plant metabolite. It is an alkenyl alcohol and a primary allylic alcohol.
Related reactions
20 records
Compound notes
Loading…