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4-Hepten-1-ol, (4Z)-

HCID 5367536
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
6191-71-5
Standard SMILES
CC/C=C\CCCO
InChIKey
CUKAXHVLXKIPKF-ARJAWSKDSA-N
Molecular formula
C7H14O
Average molar mass
114.19 g/mol
Monoisotopic mass
114.10446507

Overview

(Z)-4-Hepten-1-ol is an aliphatic alcohol.

Names & identifiers

Preferred name
4-Hepten-1-ol, (4Z)-
IUPAC
(Z)-hept-4-en-1-ol
English name
CIS-4-HEPTEN-1-OL
Molecular formula
C7H14O
Molecular weight
114.19

Names & synonyms

cis-4-Hepten-1-ol6191-71-5(Z)-Hept-4-en-1-ol(Z)-4-Hepten-1-ol4-Hepten-1-ol, (4Z)-(4Z)-hept-4-en-1-ol(4Z)-4-Hepten-1-olcis-Hept-4-enol4-Hepten-1-ol, cis-UNII-802K6ZTP9Q802K6ZTP9Qcis-4-heptenol
Show more names
4-HEPTEN-1-OL(z)-4-hepten-1-ocis-4-Hepten-1-ol>cis-4-Hepten-1-ol,97%
EINECS 228-238-2(Z)-4-HEPTENOLFEMA NO. 3841CUKAXHVLXKIPKF-ARJAWSKDSA-DTXSID30884234(Z)-4-HEPTEN-1-OL [FHFI]RefChem:99084DTXCID301023688

Database identifiers

CAS
6191-71-5
PubChem CID
5367536
DTXSID
DTXSID30884234
ChEBI
CHEBI:190000
UNII
802K6ZTP9Q
EC Number
228-238-2
Nikkaji
J142.151D

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
8
Formal charge
0
Complexity
57.4

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient ((Z)-4-Hepten-1-ol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.845-0.853
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

Insoluble in water; soluble in organic solvents

soluble (in ethanol)

Boiling Point · 2 items

78.00 °C. @ 23.00 mm Hg

77-78 °C (23 mm Hg)

Refractive Index1.440-1.448
Physical DescriptionClear, colourless liquid

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 · 3 items

This chemical does not meet GHS hazard criteria for 97.8% (89 of 91) of all reports.

Not Classified

Aggregated GHS information provided per 91 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

4-Hepten-1-ol, (4Z)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Safety data

F
10-23
PPE
Eyeshields, Gloves
wgk
3
tsca
TSCA listed
ridadr
1987
hs_code
29052990
risk_code
10
Signal word
Warning
Symbol(GHS)
GHS02
safety_code
16
Storage Class
10 - Combustible liquids
packing_group
III
Hazard statements
H227
Precautionary statements

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

Use Classification · 3 items

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information4-Hepten-1-ol, (4Z)-: ACTIVE

Applications

Usescis-4-Hepten-1-ol is used for green topnotes. It is used as a flavoring agent for strawberry, tomato, dry, hay notes of mimosa and tomato vine. It also acts as stabilizers, surfactants and emulsifiers.

Suppliers30 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Physicochemical properties

Melting point
26 °C · 26°C (estimate)
Boiling point
78 °C/23 · 78 °C/23 mmHg (lit.)
Density
0.85 g/mL · 0.850 g/mL at 20 °C (lit.)
FEMA
3841 · 3841 | (Z)-4-HEPTEN-1-OL
refractive index
20 · n20/D 1.445
FLAVIS Number
2.249 · 02.249 | (4Z)-Hepten-1-ol
Flash point
60 °C/24mm · 60°C/24mm
storage temp.
Flammables area
pka
15.12 · 15.12±0.10(Predicted)
form
clear liquid
color
Colorless to Almost colorless
Odor
10 % · at 10.00 % in dipropylene glycol. fresh oily fatty creamy vegetable dairy green grassy
Odor Type
green
Water Solubility
Soluble in alcohol. Insoluble in water.
JECFA Number
1280 · 1280
BRN
1840300 · 1840300
InChI
1S/C7H14O/c1-2-3-4-5-6-7-8/h3-4,8H,2,5-7H2,1H3/b4-3-
InChIKey
CUKAXHVLXKIPKF-ARJAWSKDSA-N
SMILES
CC\C=C/CCCO
LogP
2.07 · 2.07
Substances Added to Food (formerly EAFUS)
-4 · (Z)-4-HEPTEN-1-OL
FDA UNII
802 K6ZTP9Q · 802K6ZTP9Q
EPA Substance Registry System
4 · 4-Hepten-1-ol, (4Z)- (6191-71-5)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02
Signal word
Warning
Hazard statements
227 · H227
Precautionary statements
210 · P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a
PPE
Eyeshields, Gloves
Risk Statements
10 · 10
Safety Statements
16 · 16
RIDADR
1987 · 1987
WGK Germany
3 · 3
F
10 · 10-23
TSCA
TSCA listed
PackingGroup
III
HS Code
29052990 · 29052990
Storage Class
10 · 10 - Combustible liquids
P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a
上海迈瑞尔生化科技有限公司
4006356688 18621169109 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [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]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [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]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
BOC Sciences[email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Additional notes

DefinitionChEBI: (Z)-4-Hepten-1-ol is an aliphatic alcohol.